implement BioLiP filter

singa-bio / singa

:leaves: SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinformatics and systems biology.

MIT License

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implement BioLiP filter #90

Open fkaiserbio opened 5 years ago

fkaiserbio commented 5 years ago

we should provide a wrapper for the BioLiP dataset to identify biologically relevant ligands in PDB structures