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12 search results found

Chembl_webresource_client ⭐ 303

Official Python client for accessing ChEMBL API

Xyz2graph ⭐ 58

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

Py4chemoinformatics ⭐ 53

Python for chemoinformatics

Chembience ⭐ 33

A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.

Molassembler ⭐ 28

Chemoinformatics toolkit with support for inorganic molecules

Calculation and visualization of molecular networks based on t-SNE algorithm

New Web Interface for ChEMBL @ EMBL-EBI

Chemicalidentifiers.jl ⭐ 15

chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search

Organic Chemistry Reaction Prediction Using Nmt ⭐ 13

organic chemistry reaction prediction using NMT with Attention

Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known associated properties

Isomers_generator ⭐ 5

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

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