.gitignore

# Compiled class file
*.class

# Log file
*.log

# BlueJ files
*.ctxt

# Mobile Tools for Java (J2ME)
.mtj.tmp/

# Package Files #
*.jar
*.war
*.nar
*.ear
*.zip
*.tar.gz
*.rar

# virtual machine crash logs, see http://www.java.com/en/download/help/error_hotspot.xml
hs_err_pid*

#idea files
.idea/
*iml

#GitHub maven template
target/
pom.xml.tag
pom.xml.releaseBackup
pom.xml.versionsBackup
pom.xml.next
release.properties
dependency-reduced-pom.xml
buildNumber.properties
.mvn/timing.properties
# https://github.com/takari/maven-wrapper#usage-without-binary-jar
.mvn/wrapper/maven-wrapper.jar

GlycosylationStatisticsTest_Output/
zinc-all-for-sale.sdf
COCONUT_DB_august_17.sdf
COCONUT_DB_september_09.sdf
COCONUT_DB_november_17.sdf
COCONUT_DB_november_18.sdf
ZINC_biogenic_subset_2020_Okt_17.txt
ZINC_for-sale_subset_2020_Okt_19.txt
ZINC_in-vitro_subset_2020_Okt_30.txt
ZINC_for-sale_picked_subset_2020_Okt_19.txt
ZINC_in-vitro_without_biogenics_and_COCONUT.sdf
ZINC_for-sale_without_biogenics_and_COCONUT.sdf
sugar-containing_ZINC_for-sale_molecules.txt
sugar-containing_ZINC_in-vitro_molecules.txt
sugar-containing_ZINC_in-vitro-complete_molecules.txt
ZINC_for-sale_without_biogenics_and_COCONUT.txt
ZINC_for-sale_without_biogenics_and_COCONUT_with_stereo.sdf
ZINC_in-vitro_without_biogenics_and_COCONUT.txt
ZINC_in-vitro_without_biogenics_and_COCONUT_with_stereo.sdf
ZINC_in-vitro_flattened.txt
chembl_28.sdf
chembl_28_curated.txt
drugbank_all_structures_2021_03_11.sdf
drugbank_curated.txt
output/
.ipynb_checkpoints/