Ecosyste.ms: Packages

chemistry 69 python 33 rdkit 31 chemoinformatics 21 machine-learning 15 bioinformatics 15 molecule 14 QSAR 13 drug-discovery 13 computational-chemistry 11 molecules 10 machine learning 10 science 9 molecular-modeling 9 deep-learning 8 drug-design 7 smiles 7 Cheminformatics 6 api 6 biology 5 SMILES 5 molecular descriptors 5 quantum-chemistry 5 qsar 5 toxicoinformatics 5 networkx 4 cookiecutter 4 databases 4 scientific 4 xml 4 html 4 nlp 4 mining 4 rest 4 text-mining 4 python3 4 snekpack 4 scaffolds 4 python-library 4 molecular fingerprints 4 fragments 4 hiers 4 Chemistry 4 fingerprint 4 scaffold-trees 4 scaffold-networks 4 murcko 4 scaffold tree 3 scaffold network 3 data-visualization 3 docking 3 java 3 molecule-viewer 3 clustering 3 automation 3 indigo 3 computational 3 molecular-structures 3 metabolomics 3 protein 3 qspr 3 visualization 3 machine 3 learning 3 conformer 3 RDKit 3 chemometrics 3 compression 3 chemical engineering 3 mechanical engineering 3 thermodynamics 3 pypi-package 3 structural-biology 3 quantum 2 optimization-algorithms 2 quantum chemistry 2 parser 2 converter 2 genomics 2 plotly 2 webassembly 2 smarts 2 postgresql 2 oracle 2 molfile 2 microsoft-sql-server 2 inchi 2 dotnet 2 bingo 2 reaction 2 mass-spectrometry 2 molecular 2 spectrometry 2 pypi 2 obofoundry 2 ontology 2 toxicity 2 computational-biology 2 metabolism 2 prediction 2