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Chembl webresource clientOfficial Python client for accessing ChEMBL API.
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chempropFast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
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panel-chemistry🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python and HoloViz Panel.
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md2docx-csharpuse c sharp enhance md2docx solution.
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ChemfilesLibrary for reading and writing chemistry files
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Smiles TransformerOriginal implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.
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Ase aniANI-1 neural net potential with python interface (ASE)
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MolvsMolecule Validation and Standardization
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CirpyPython wrapper for the NCI Chemical Identifier Resolver (CIR)
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