February 2025

What's Changed

• Refactor Ersilia test command by @kurysauce in #1224
• Move the model inspection code by @dzumii in #1227
• Bump actions/upload-artifact from 4.3.3 to 4.3.4 by @dependabot in #1217
• Bump GrantBirki/comment from 2.0.10 to 2.1.0 by @dependabot in #1218
• Bump actions/setup-python from 5.1.0 to 5.1.1 by @dependabot in #1219
• Sorting model tags alphabetically by @dzumii in #1229
• Clean up dependencies related to ersilia test module by @DhanshreeA in #1238
• Remove setup.py in favor of only keeping pyproject.toml by @DhanshreeA in #1239
• Fix/tracking s3 connection by @DhanshreeA in #1244
• Make PyAirtable optional by @DhanshreeA in #1245
• Sorting tags regardless of the case by @dzumii in #1240
• Bump actions/setup-python from 4 to 5 by @dependabot in #1252
• Bump GrantBirki/json-yaml-validate from 3.0.0 to 3.2.1 by @dependabot in #1251
• Bump actions/upload-artifact from 4.3.3 to 4.4.0 by @dependabot in #1250
• Bump GrantBirki/issue-template-parser from 7.0.2 to 7.0.3 by @dependabot in #1249
• Fix 'card' KeyError in ersilia catalog command by @DhanshreeA in #1260
• Replace metadata.json with metadata.yaml in the update metadata workflow by @DhanshreeA in #1261
• Ersilia pack dockerization by @DhanshreeA in #1258
• De-register api command from Ersilia CLI by @adebisi4145 in #1289
• Removing PyAirtable dependency (#1259) by @daud99 in #1291
• Removal of Ersilia current command by @Ajoke23 in #1284
• Merged card command with catalog. #1264 by @teddyCodex in #1285
• Task: Automatically update CodeMeta upon release #1276 by @OlawumiSalaam in #1288
• Removed the api command from the Circleci workflow by @mercybassey in #1305
• Updating Metadata.py file by @Faith-Adegoke in #1306
• Bump rdkit version (#1304) by @daud99 in #1308
• Print ersilia catalog in a table natively by @jubril-adeyi in #1292
• 🐈 Task: Refactor ersilia clear command #1266 by @KimFarida in #1301
• Fix: Update CompoundIdentifier to handle invalid SMILES inputs by @musasizivictoria in #1295
• Fetch CLI decision flow improvement(#1299) by @Abellegese in #1311
• Update approve-trigger.yml by @aderemi1224 in #1300
• Added support for both strings and lists in the information by @miquelduranfrigola in #1325
• Update card.py by @miquelduranfrigola in #1326
• Add positive unit test for is_input_header in CompoundIdentifier by @musasizivictoria in #1320
• Update release date by @OlawumiSalaam in #1322
• Create DEVELOPMENT.md file by @Ajoke23 in #1318
• Improve CONTRIBUTING.md file by @adebisi4145 in #1307
• Create a positive test for is_key_header by @mercybassey in #1324
• Update inspect.py to include --track flag support for model inspection by @AnushkaShreyam in #1327
• Add negative unit test for is_key_header in test_compound_identifier.py by @Ajoke23 in #1330
• Integrate GDI inference store with CLI by @nicholas-kondal in #1190
• Read the JSON file from the S3 interface by @DhanshreeA in #1349
• Drop Python 3.7 support and update tests by @Darkbeast-glitch in #1316
• Add --all flag to delete all locally available models by @JoyProg in #1317
• Fix control flow by @DhanshreeA in #1378
• Bump actions/checkout from 3.5.3 to 4.2.2 by @dependabot in #1361
• Bump actions/upload-artifact from 4.4.0 to 4.4.3 by @dependabot in #1362
• Bump abatilo/actions-poetry from 3.0.0 to 3.0.1 by @dependabot in #1363
• Adding table based result output by @Abellegese in #1364
• Singleton implementation and coloring the logging status by @Abellegese in #1365
• Serve time rdkit and other package installation by @Abellegese in #1366
• Make ersilia metadata file agnostic by @DhanshreeA in #1380
• Bump requests and docker-py by @DhanshreeA in #1150
• Added CompoundIdentifier class is_input_header negative test by @musasizivictoria in #1328
• Add a positive test unit for _is_smiles when chem is none in test_compound_identifier.py by @Ajoke23 in #1332
• Added tests for CatalogTable.as_list_of_dicts (#1319) by @daud99 in #1331
• add positive test for the _is_inchikey method in CompoundIdentifier class by @adebisi4145 in #1333
• Test for guess_type with inchikey in CompoundIdentifier class by @Ajoke23 in #1357
• add negative test for the _is_inchikey method in CompoundIdentifier class by @adebisi4145 in #1334
• Update test for positive inchikey by @tongyu0924 in #1336
• Make fetch fail if standardrun doesnt work by @DhanshreeA in #1386
• Bug fixes: inch_to_key converter args missing by @Abellegese in #1391
• Add tests for _is_smiles, _is_inchikey, and guess_type methods in CompoundIdentifier class by @musasizivictoria in #1358
• Fix dependency vulnerabilities by @DhanshreeA in #1396
• Remove duplicate flag --repo_path from the fetch command (#1370) by @snufkinwa in #1381
• Logging at realtime from the async subprocess while pulling by @Abellegese in #1392
• Miscellaneous fixes by @DhanshreeA in #1405
• CLI test integration by @Abellegese in #1383
• Remove setuptools dependency by @DhanshreeA in #1410
• Remove Airtable dependency completely by @DhanshreeA in #1415
• Refactor catalog command to show local catalog by default by @DhanshreeA in #1420
• Copy example files from images built using ersilia pack by @DhanshreeA in #1421
• Misc CLI clean ups by @DhanshreeA in #1424
• Update Issue Template to Remove Auto-Assignment by @Malikbadmus in #1425
• Model tester and Inspect command functionality updates by @Abellegese in #1416
• Add detailed docstrings and usage examples to CLI command functions by @Abellegese in #1427
• Refactor Catalog command by @DhanshreeA in #1426
• Fix/refactor example cmd by @DhanshreeA in #1430
• Add detailed docstrings and usage examples to Ersilia'a core modules by @Abellegese in #1428
• Add detailed docstrings and usage examples to Ersilia'a hub modules by @Abellegese in #1435
• Add detailed docstrings and usage examples to Ersilia'a db modules and improvement on core and cli module by @Abellegese in #1436
• Add detailed docstrings and usage examples to Ersilia'a io modules by @Abellegese in #1440
• Make ersilia report docker issues better by @DhanshreeA in #1445
• Clean up workflows by @DhanshreeA in #1446
• Add detailed docstrings and usage examples to Ersilia'a serve modules by @Abellegese in #1439
• Add detailed docstrings and usage examples to Ersilia'a lake modules by @Abellegese in #1438
• Add detailed docstrings and usage examples to Ersilia'a store modules by @Abellegese in http...

January 2025

What's Changed

• Refactor Ersilia test command by @kurysauce in #1224
• Move the model inspection code by @dzumii in #1227
• Bump actions/upload-artifact from 4.3.3 to 4.3.4 by @dependabot in #1217
• Bump GrantBirki/comment from 2.0.10 to 2.1.0 by @dependabot in #1218
• Bump actions/setup-python from 5.1.0 to 5.1.1 by @dependabot in #1219
• Sorting model tags alphabetically by @dzumii in #1229
• Clean up dependencies related to ersilia test module by @DhanshreeA in #1238
• Remove setup.py in favor of only keeping pyproject.toml by @DhanshreeA in #1239
• Fix/tracking s3 connection by @DhanshreeA in #1244
• Make PyAirtable optional by @DhanshreeA in #1245
• Sorting tags regardless of the case by @dzumii in #1240
• Bump actions/setup-python from 4 to 5 by @dependabot in #1252
• Bump GrantBirki/json-yaml-validate from 3.0.0 to 3.2.1 by @dependabot in #1251
• Bump actions/upload-artifact from 4.3.3 to 4.4.0 by @dependabot in #1250
• Bump GrantBirki/issue-template-parser from 7.0.2 to 7.0.3 by @dependabot in #1249
• Fix 'card' KeyError in ersilia catalog command by @DhanshreeA in #1260
• Replace metadata.json with metadata.yaml in the update metadata workflow by @DhanshreeA in #1261
• Ersilia pack dockerization by @DhanshreeA in #1258
• De-register api command from Ersilia CLI by @adebisi4145 in #1289
• Removing PyAirtable dependency (#1259) by @daud99 in #1291
• Removal of Ersilia current command by @Ajoke23 in #1284
• Merged card command with catalog. #1264 by @teddyCodex in #1285
• Task: Automatically update CodeMeta upon release #1276 by @OlawumiSalaam in #1288
• Removed the api command from the Circleci workflow by @mercybassey in #1305
• Updating Metadata.py file by @Faith-Adegoke in #1306
• Bump rdkit version (#1304) by @daud99 in #1308
• Print ersilia catalog in a table natively by @jubril-adeyi in #1292
• 🐈 Task: Refactor ersilia clear command #1266 by @KimFarida in #1301
• Fix: Update CompoundIdentifier to handle invalid SMILES inputs by @musasizivictoria in #1295
• Fetch CLI decision flow improvement(#1299) by @Abellegese in #1311
• Update approve-trigger.yml by @aderemi1224 in #1300
• Added support for both strings and lists in the information by @miquelduranfrigola in #1325
• Update card.py by @miquelduranfrigola in #1326
• Add positive unit test for is_input_header in CompoundIdentifier by @musasizivictoria in #1320
• Update release date by @OlawumiSalaam in #1322
• Create DEVELOPMENT.md file by @Ajoke23 in #1318
• Improve CONTRIBUTING.md file by @adebisi4145 in #1307
• Create a positive test for is_key_header by @mercybassey in #1324
• Update inspect.py to include --track flag support for model inspection by @AnushkaShreyam in #1327
• Add negative unit test for is_key_header in test_compound_identifier.py by @Ajoke23 in #1330
• Integrate GDI inference store with CLI by @nicholas-kondal in #1190
• Read the JSON file from the S3 interface by @DhanshreeA in #1349
• Drop Python 3.7 support and update tests by @Darkbeast-glitch in #1316
• Add --all flag to delete all locally available models by @JoyProg in #1317
• Fix control flow by @DhanshreeA in #1378
• Bump actions/checkout from 3.5.3 to 4.2.2 by @dependabot in #1361
• Bump actions/upload-artifact from 4.4.0 to 4.4.3 by @dependabot in #1362
• Bump abatilo/actions-poetry from 3.0.0 to 3.0.1 by @dependabot in #1363
• Adding table based result output by @Abellegese in #1364
• Singleton implementation and coloring the logging status by @Abellegese in #1365
• Serve time rdkit and other package installation by @Abellegese in #1366
• Make ersilia metadata file agnostic by @DhanshreeA in #1380
• Bump requests and docker-py by @DhanshreeA in #1150
• Added CompoundIdentifier class is_input_header negative test by @musasizivictoria in #1328
• Add a positive test unit for _is_smiles when chem is none in test_compound_identifier.py by @Ajoke23 in #1332
• Added tests for CatalogTable.as_list_of_dicts (#1319) by @daud99 in #1331
• add positive test for the _is_inchikey method in CompoundIdentifier class by @adebisi4145 in #1333
• Test for guess_type with inchikey in CompoundIdentifier class by @Ajoke23 in #1357
• add negative test for the _is_inchikey method in CompoundIdentifier class by @adebisi4145 in #1334
• Update test for positive inchikey by @tongyu0924 in #1336
• Make fetch fail if standardrun doesnt work by @DhanshreeA in #1386
• Bug fixes: inch_to_key converter args missing by @Abellegese in #1391
• Add tests for _is_smiles, _is_inchikey, and guess_type methods in CompoundIdentifier class by @musasizivictoria in #1358
• Fix dependency vulnerabilities by @DhanshreeA in #1396
• Remove duplicate flag --repo_path from the fetch command (#1370) by @snufkinwa in #1381
• Logging at realtime from the async subprocess while pulling by @Abellegese in #1392
• Miscellaneous fixes by @DhanshreeA in #1405
• CLI test integration by @Abellegese in #1383
• Remove setuptools dependency by @DhanshreeA in #1410
• Remove Airtable dependency completely by @DhanshreeA in #1415
• Refactor catalog command to show local catalog by default by @DhanshreeA in #1420
• Copy example files from images built using ersilia pack by @DhanshreeA in #1421
• Misc CLI clean ups by @DhanshreeA in #1424
• Update Issue Template to Remove Auto-Assignment by @Malikbadmus in #1425
• Model tester and Inspect command functionality updates by @Abellegese in #1416
• Add detailed docstrings and usage examples to CLI command functions by @Abellegese in #1427
• Refactor Catalog command by @DhanshreeA in #1426
• Fix/refactor example cmd by @DhanshreeA in #1430
• Add detailed docstrings and usage examples to Ersilia'a core modules by @Abellegese in #1428
• Add detailed docstrings and usage examples to Ersilia'a hub modules by @Abellegese in #1435
• Add detailed docstrings and usage examples to Ersilia'a db modules and improvement on core and cli module by @Abellegese in #1436
• Add detailed docstrings and usage examples to Ersilia'a io modules by @Abellegese in #1440
• Make ersilia report docker issues better by @DhanshreeA in #1445
• Clean up workflows by @DhanshreeA in #1446
• Add detailed docstrings and usage examples to Ersilia'a serve modules by @Abellegese in #1439
• Add detailed docstrings and usage examples to Ersilia'a lake modules by @Abellegese in #1438
• Add detailed docstrings and usage examples to Ersilia'a store modules by @Abellegese in http...

December 2024

What's Changed

• Refactor Ersilia test command by @kurysauce in #1224
• Move the model inspection code by @dzumii in #1227
• Bump actions/upload-artifact from 4.3.3 to 4.3.4 by @dependabot in #1217
• Bump GrantBirki/comment from 2.0.10 to 2.1.0 by @dependabot in #1218
• Bump actions/setup-python from 5.1.0 to 5.1.1 by @dependabot in #1219
• Sorting model tags alphabetically by @dzumii in #1229
• Clean up dependencies related to ersilia test module by @DhanshreeA in #1238
• Remove setup.py in favor of only keeping pyproject.toml by @DhanshreeA in #1239
• Fix/tracking s3 connection by @DhanshreeA in #1244
• Make PyAirtable optional by @DhanshreeA in #1245
• Sorting tags regardless of the case by @dzumii in #1240
• Bump actions/setup-python from 4 to 5 by @dependabot in #1252
• Bump GrantBirki/json-yaml-validate from 3.0.0 to 3.2.1 by @dependabot in #1251
• Bump actions/upload-artifact from 4.3.3 to 4.4.0 by @dependabot in #1250
• Bump GrantBirki/issue-template-parser from 7.0.2 to 7.0.3 by @dependabot in #1249
• Fix 'card' KeyError in ersilia catalog command by @DhanshreeA in #1260
• Replace metadata.json with metadata.yaml in the update metadata workflow by @DhanshreeA in #1261
• Ersilia pack dockerization by @DhanshreeA in #1258
• De-register api command from Ersilia CLI by @adebisi4145 in #1289
• Removing PyAirtable dependency (#1259) by @daud99 in #1291
• Removal of Ersilia current command by @Ajoke23 in #1284
• Merged card command with catalog. #1264 by @teddyCodex in #1285
• Task: Automatically update CodeMeta upon release #1276 by @OlawumiSalaam in #1288
• Removed the api command from the Circleci workflow by @mercybassey in #1305
• Updating Metadata.py file by @Faith-Adegoke in #1306
• Bump rdkit version (#1304) by @daud99 in #1308
• Print ersilia catalog in a table natively by @jubril-adeyi in #1292
• 🐈 Task: Refactor ersilia clear command #1266 by @KimFarida in #1301
• Fix: Update CompoundIdentifier to handle invalid SMILES inputs by @musasizivictoria in #1295
• Fetch CLI decision flow improvement(#1299) by @Abellegese in #1311
• Update approve-trigger.yml by @aderemi1224 in #1300
• Added support for both strings and lists in the information by @miquelduranfrigola in #1325
• Update card.py by @miquelduranfrigola in #1326
• Add positive unit test for is_input_header in CompoundIdentifier by @musasizivictoria in #1320
• Update release date by @OlawumiSalaam in #1322
• Create DEVELOPMENT.md file by @Ajoke23 in #1318
• Improve CONTRIBUTING.md file by @adebisi4145 in #1307
• Create a positive test for is_key_header by @mercybassey in #1324
• Update inspect.py to include --track flag support for model inspection by @AnushkaShreyam in #1327
• Add negative unit test for is_key_header in test_compound_identifier.py by @Ajoke23 in #1330
• Integrate GDI inference store with CLI by @nicholas-kondal in #1190
• Read the JSON file from the S3 interface by @DhanshreeA in #1349
• Drop Python 3.7 support and update tests by @Darkbeast-glitch in #1316
• Add --all flag to delete all locally available models by @JoyProg in #1317
• Fix control flow by @DhanshreeA in #1378
• Bump actions/checkout from 3.5.3 to 4.2.2 by @dependabot in #1361
• Bump actions/upload-artifact from 4.4.0 to 4.4.3 by @dependabot in #1362
• Bump abatilo/actions-poetry from 3.0.0 to 3.0.1 by @dependabot in #1363
• Adding table based result output by @Abellegese in #1364
• Singleton implementation and coloring the logging status by @Abellegese in #1365
• Serve time rdkit and other package installation by @Abellegese in #1366
• Make ersilia metadata file agnostic by @DhanshreeA in #1380
• Bump requests and docker-py by @DhanshreeA in #1150
• Added CompoundIdentifier class is_input_header negative test by @musasizivictoria in #1328
• Add a positive test unit for _is_smiles when chem is none in test_compound_identifier.py by @Ajoke23 in #1332
• Added tests for CatalogTable.as_list_of_dicts (#1319) by @daud99 in #1331
• add positive test for the _is_inchikey method in CompoundIdentifier class by @adebisi4145 in #1333
• Test for guess_type with inchikey in CompoundIdentifier class by @Ajoke23 in #1357
• add negative test for the _is_inchikey method in CompoundIdentifier class by @adebisi4145 in #1334
• Update test for positive inchikey by @tongyu0924 in #1336
• Make fetch fail if standardrun doesnt work by @DhanshreeA in #1386
• Bug fixes: inch_to_key converter args missing by @Abellegese in #1391
• Add tests for _is_smiles, _is_inchikey, and guess_type methods in CompoundIdentifier class by @musasizivictoria in #1358
• Fix dependency vulnerabilities by @DhanshreeA in #1396
• Remove duplicate flag --repo_path from the fetch command (#1370) by @snufkinwa in #1381
• Logging at realtime from the async subprocess while pulling by @Abellegese in #1392
• Miscellaneous fixes by @DhanshreeA in #1405
• Fix CSV Serializer in StandaradCSVRunner by @DhanshreeA in #1406

New Contributors

• @adebisi4145 made their first contribution in #1289
• @daud99 made their first contribution in #1291
• @Ajoke23 made their first contribution in #1284
• @teddyCodex made their first contribution in #1285
• @OlawumiSalaam made their first contribution in #1288
• @mercybassey made their first contribution in #1305
• @Faith-Adegoke made their first contribution in #1306
• @jubril-adeyi made their first contribution in #1292
• @KimFarida made their first contribution in #1301
• @musasizivictoria made their first contribution in #1295
• @aderemi1224 made their first contribution in #1300
• @AnushkaShreyam made their first contribution in #1327
• @nicholas-kondal made their first contribution in #1190
• @Darkbeast-glitch made their first contribution in #1316
• @JoyProg made their first contribution in #1317
• @tongyu0924 made their first contribution in #1336
• @snufkinwa made their first contribution in #1381

Full Changelog: v0.1.36...v0.1.39

November 2024

What's Changed

• Refactor Ersilia test command by @kurysauce in #1224
• Move the model inspection code by @dzumii in #1227
• Bump actions/upload-artifact from 4.3.3 to 4.3.4 by @dependabot in #1217
• Bump GrantBirki/comment from 2.0.10 to 2.1.0 by @dependabot in #1218
• Bump actions/setup-python from 5.1.0 to 5.1.1 by @dependabot in #1219
• Sorting model tags alphabetically by @dzumii in #1229
• Clean up dependencies related to ersilia test module by @DhanshreeA in #1238
• Remove setup.py in favor of only keeping pyproject.toml by @DhanshreeA in #1239
• Fix/tracking s3 connection by @DhanshreeA in #1244
• Make PyAirtable optional by @DhanshreeA in #1245
• Sorting tags regardless of the case by @dzumii in #1240
• Bump actions/setup-python from 4 to 5 by @dependabot in #1252
• Bump GrantBirki/json-yaml-validate from 3.0.0 to 3.2.1 by @dependabot in #1251
• Bump actions/upload-artifact from 4.3.3 to 4.4.0 by @dependabot in #1250
• Bump GrantBirki/issue-template-parser from 7.0.2 to 7.0.3 by @dependabot in #1249
• Fix 'card' KeyError in ersilia catalog command by @DhanshreeA in #1260
• Replace metadata.json with metadata.yaml in the update metadata workflow by @DhanshreeA in #1261
• Ersilia pack dockerization by @DhanshreeA in #1258
• De-register api command from Ersilia CLI by @adebisi4145 in #1289
• Removing PyAirtable dependency (#1259) by @daud99 in #1291
• Removal of Ersilia current command by @Ajoke23 in #1284
• Merged card command with catalog. #1264 by @teddyCodex in #1285
• Task: Automatically update CodeMeta upon release #1276 by @OlawumiSalaam in #1288
• Removed the api command from the Circleci workflow by @mercybassey in #1305
• Updating Metadata.py file by @Faith-Adegoke in #1306
• Bump rdkit version (#1304) by @daud99 in #1308
• Print ersilia catalog in a table natively by @jubril-adeyi in #1292
• 🐈 Task: Refactor ersilia clear command #1266 by @KimFarida in #1301
• Fix: Update CompoundIdentifier to handle invalid SMILES inputs by @musasizivictoria in #1295
• Fetch CLI decision flow improvement(#1299) by @Abellegese in #1311
• Update approve-trigger.yml by @aderemi1224 in #1300
• Added support for both strings and lists in the information by @miquelduranfrigola in #1325
• Update card.py by @miquelduranfrigola in #1326
• Add positive unit test for is_input_header in CompoundIdentifier by @musasizivictoria in #1320
• Update release date by @OlawumiSalaam in #1322
• Create DEVELOPMENT.md file by @Ajoke23 in #1318
• Improve CONTRIBUTING.md file by @adebisi4145 in #1307
• Create a positive test for is_key_header by @mercybassey in #1324
• Update inspect.py to include --track flag support for model inspection by @AnushkaShreyam in #1327
• Add negative unit test for is_key_header in test_compound_identifier.py by @Ajoke23 in #1330
• Integrate GDI inference store with CLI by @nicholas-kondal in #1190
• Read the JSON file from the S3 interface by @DhanshreeA in #1349
• Drop Python 3.7 support and update tests by @Darkbeast-glitch in #1316
• Performace Improvement on the run CLI(#1299) by @Abellegese in #1353

New Contributors

• @adebisi4145 made their first contribution in #1289
• @daud99 made their first contribution in #1291
• @Ajoke23 made their first contribution in #1284
• @teddyCodex made their first contribution in #1285
• @OlawumiSalaam made their first contribution in #1288
• @mercybassey made their first contribution in #1305
• @Faith-Adegoke made their first contribution in #1306
• @jubril-adeyi made their first contribution in #1292
• @KimFarida made their first contribution in #1301
• @musasizivictoria made their first contribution in #1295
• @Abellegese made their first contribution in #1311
• @aderemi1224 made their first contribution in #1300
• @AnushkaShreyam made their first contribution in #1327
• @nicholas-kondal made their first contribution in #1190
• @Darkbeast-glitch made their first contribution in #1316

Full Changelog: v0.1.36...v0.1.38

October 2024

What's Changed

• Refactor Ersilia test command by @kurysauce in #1224
• Move the model inspection code by @dzumii in #1227
• Bump actions/upload-artifact from 4.3.3 to 4.3.4 by @dependabot in #1217
• Bump GrantBirki/comment from 2.0.10 to 2.1.0 by @dependabot in #1218
• Bump actions/setup-python from 5.1.0 to 5.1.1 by @dependabot in #1219
• Sorting model tags alphabetically by @dzumii in #1229
• Clean up dependencies related to ersilia test module by @DhanshreeA in #1238
• Remove setup.py in favor of only keeping pyproject.toml by @DhanshreeA in #1239
• Fix/tracking s3 connection by @DhanshreeA in #1244
• Make PyAirtable optional by @DhanshreeA in #1245
• Sorting tags regardless of the case by @dzumii in #1240
• Bump actions/setup-python from 4 to 5 by @dependabot in #1252
• Bump GrantBirki/json-yaml-validate from 3.0.0 to 3.2.1 by @dependabot in #1251
• Bump actions/upload-artifact from 4.3.3 to 4.4.0 by @dependabot in #1250
• Bump GrantBirki/issue-template-parser from 7.0.2 to 7.0.3 by @dependabot in #1249
• Fix 'card' KeyError in ersilia catalog command by @DhanshreeA in #1260
• Replace metadata.json with metadata.yaml in the update metadata workflow by @DhanshreeA in #1261
• Ersilia pack dockerization by @DhanshreeA in #1258

Full Changelog: v0.1.36...v0.1.37

August 2024

What's Changed

• Fix table creation while setting setting write api key by @DhanshreeA in #1148
• Add spdx license identifiers by @DhanshreeA in #1149
• Use matrix strategy to control build versions in action by @DhanshreeA in #1151
• Update ersilia-base-image-to-dockerhub.yml by @DhanshreeA in #1152
• Code Refactor: Remove Pandas as a dependency by using the natively in built csv module instead by @dzumii in #1131
• Update pyproject.toml file by @dzumii in #1153
• fix: relax regex search of docker logs by @kartikey-vyas in #1157
• Resolve duplication between RunLogger in ersilia/core/session.py and RunTracker in ersilia/core/tracking.py by @Malikbadmus in #1132
• Remove multiple and redundant track flags by @dzumii in #1160
• Pin numpy to 1.x.x versions by @DhanshreeA in #1166
• Removing the stat method from the tracking functionalites by @Malikbadmus in #1169
• Implement the method to log the number of errors and warnings during model run. by @Malikbadmus in #1168
• Rework code calculating memory usage - output and Docker container by @Malikbadmus in #1161
• Fix current_service_class method to return "No model served" if ersilia process was interrupted by @Malikbadmus in #1172
• Track without output bug by @dzumii in #1170
• Added the service class method to the modelcard by @Malikbadmus in #1173
• Ersilia Catalog Bug when no models are available by @dzumii in #1175
• Remove annoying debug logs by @Malikbadmus in #1177
• Pull request template by @dzumii in #1179
• Bump actions/checkout from 4.1.6 to 4.1.7 by @dependabot in #1182
• Bump docker/build-push-action from 5 to 6 by @dependabot in #1181
• Modified the time tracking method to accurately track time taken by @Malikbadmus in #1176
• Refactor tracking to support a single SMILES string input by @Malikbadmus in #1183
• Utilise model metadata to resolve model output type and shape by @DhanshreeA in #1184
• Hotfix: Resotre older licenses for backward compatibility by @DhanshreeA in #1191
• Fix bug with ersilia fetch from github inside a docker container by @DhanshreeA in #1193
• Modifying the local Catalog functionality by @Malikbadmus in #1195
• Bump GrantBirki/json-yaml-validate from 2.7.1 to 3.0.0 by @dependabot in #1133
• Fastapi integration by @miquelduranfrigola in #1199
• Specify repo_path while fetching the dummy model by @DhanshreeA in #1200
• Getting model source value by @Malikbadmus in #1202
• Reflecting correct values in Model information file by @Malikbadmus in #1204
• Fix Airtable to JSON conversion workflow to account for paginated response from Airtable API by @DhanshreeA in #1211
• Use JsonModelsInterface in ersilia CLI by @DhanshreeA in #1213
• Make MODEL_SIZE_FILE always go in the model dest directory by @DhanshreeA in #1212
• Updated catalog local command by @Malikbadmus in #1206

New Contributors

• @dzumii made their first contribution in #1131
• @kartikey-vyas made their first contribution in #1157
• @Malikbadmus made their first contribution in #1132

Full Changelog: v0.1.34...v0.1.36

May 2024 - v0.1.34

What's Changed

• Use marketplace action to install Conda in ersiila installation test workflow by @DhanshreeA in #1125
• hotfix: pin requests to a version less than 2.31.x by @DhanshreeA in #1129
• Clean up issue templates by @DhanshreeA in #1130
• Bump GrantBirki/comment from 2.0.9 to 2.0.10 by @dependabot in #1136
• Bump actions/upload-artifact from 4.3.1 to 4.3.3 by @dependabot in #1135
• Bump actions/checkout from 4.1.4 to 4.1.6 by @dependabot in #1134

Full Changelog: v0.1.33...v0.1.34

April 2024 - v0.1.33

What's Changed

• Bump GrantBirki/comment from 2.0.8 to 2.0.9 by @dependabot in #973
• Bump GrantBirki/json-yaml-validate from 2.6.0 to 2.6.1 by @dependabot in #975
• Fix failiing docker builds by @DhanshreeA in #1052
• Bump GrantBirki/issue-template-parser from 7.0.0 to 7.0.1 by @dependabot in #1093
• Bump actions/checkout from 4.1.1 to 4.1.2 by @dependabot in #1094
• Convert Airtable models to a JSON file by @carcablop in #1011
• Patch path to model's python binary by @DhanshreeA in #1099
• Fix the script to patch model python binary's path by @DhanshreeA in #1101
• fix a problem with aws access key by @carcablop in #1102
• Add support for model input example.csv in the ersilia example command by @DhanshreeA in #1103
• Bump actions-js/push from 1.4 to 1.5 by @dependabot in #1121
• Bump GrantBirki/json-yaml-validate from 2.6.1 to 2.7.1 by @dependabot in #1120
• Bump actions/checkout from 4.1.1 to 4.1.4 by @dependabot in #1119
• Bump GrantBirki/issue-template-parser from 7.0.1 to 7.0.2 by @dependabot in #1118

Full Changelog: v0.1.32...v0.1.33

Docker compatibilty

We now provide compatibility with Docker, which greatly improves the robustness of Ersilia.

First Ersilia Release with a DOI!

This Release contains a stable version of Ersilia's CLI, with bugfixes for predicting large datasets and improved Error notifications for users.