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chemoinformatics x

11 search results found

Chembl_webresource_client ⭐ 303

Official Python client for accessing ChEMBL API

CReM: chemically reasonable mutations framework

Xyz2graph ⭐ 58

Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

Cgrtools ⭐ 49

CGRs, molecules and reactions manipulation

D3 Molecule ⭐ 35

D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.

Molassembler ⭐ 28

Chemoinformatics toolkit with support for inorganic molecules

Pidginv2 ⭐ 18

PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)

MolEnc: a molecular encoder using rdkit and OCaml.

Chemoinformatics tool for ligand-based virtual screening

Supporting code for doi 10.1021/acs.jcim.0c01344

Isomers_generator ⭐ 5

Python code for generate all the possible molecules starting from a chemical formula

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