Ecosyste.ms: Packages

chemistry 67 python 33 rdkit 30 chemoinformatics 20 bioinformatics 15 machine-learning 15 molecule 14 drug-discovery 13 QSAR 13 computational-chemistry 11 molecules 10 science 9 machine learning 9 molecular-modeling 9 deep-learning 8 smiles 7 drug-design 7 api 6 molecular descriptors 5 Cheminformatics 5 qsar 5 SMILES 5 toxicoinformatics 5 quantum-chemistry 5 biology 5 cookiecutter 4 snekpack 4 python-library 4 molecular fingerprints 4 rest 4 Chemistry 4 fingerprint 4 text-mining 4 mining 4 nlp 4 html 4 xml 4 scientific 4 python3 4 networkx 4 scaffolds 4 scaffold-trees 4 fragments 4 hiers 4 murcko 4 scaffold-networks 4 databases 4 visualization 3 conformer 3 data-visualization 3 indigo 3 java 3 machine 3 learning 3 chemometrics 3 pypi-package 3 structural-biology 3 automation 3 clustering 3 thermodynamics 3 mechanical engineering 3 chemical engineering 3 metabolomics 3 qspr 3 molecule-viewer 3 compression 3 scaffold tree 3 scaffold network 3 computational 3 docking 3 protein 3 molecular-structures 3 RDKit 3 pubchem 2 molecular-simulation 2 molecular 2 graph 2 tensorflow 2 pharmacophore 2 ontology 2 obofoundry 2 hplc 2 QSPR 2 graph-algorithms 2 computational-biology 2 classification 2 metabolism 2 standardization 2 prediction 2 uamc 2 mass-spectrometry 2 chemical-space 2 cheminformatics-and-compchem 2 information-extraction 2 optimization-algorithms 2 BlueDesc 2 graph-neural-networks 2 spectrometry 2 natural-language-processing 2 automated 2