diff --git a/README.md b/README.md index f6717a5..fbe3b40 100644 --- a/README.md +++ b/README.md @@ -186,12 +186,12 @@ the following timings used Intel Xeon 6230 CPUs and Nvidia GeForce RTX 2080 TI G | action | resources | approximate time | | --- | --- | --- | -| calculating 2M fingerprints | 8 CPU[^1] | 4m | +| calculating 2M fingerprints | 8 CPU [^1] | 4m | | calculating 100M fingerprints | 12 CPU | 4h | | MPN training on 2k molecules | 8 CPU / 1 GPU | 2s / epoch | | MPN prediction on 2M molecules | 8 CPU / 1 GPU | 15m | -| MPN training on 100k molecules | 12 CPU / 1 GPU[^2] | 30s / epoch | -| MPN prediction on 100M molecules | 4 x (12 CPU / 1 GPU)[^2] | 2h | +| MPN training on 100k molecules | 12 CPU / 1 GPU [^2] | 30s / epoch | +| MPN prediction on 100M molecules | 4 x (12 CPU / 1 GPU) [^2] | 2h | [^1]: fingerprint code currently only support single process writing to limit total memory footprint. We have found it is I/O limited beyond 8 CPUs [^2]: used Intel Xeon 6130 CPUs and Nvidia V100 GPUs