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The Top 12 Chemistry Chemoinformatics Open Source Projects

Open source projects categorized as Chemistry Chemoinformatics
Categories > Science > Chemistry
Categories > Chemoinformatics
Chembl_webresource_client ⭐ 303
Official Python client for accessing ChEMBL API
total releases 1most recent commit a year ago
Xyz2graph ⭐ 58
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
most recent commit 10 months ago
Py4chemoinformatics ⭐ 53
Python for chemoinformatics
most recent commit 3 years ago
Psikit ⭐ 37
psi4+RDKit
total releases 6most recent commit 3 years ago
Chembience ⭐ 33
A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
most recent commit 2 years ago
Molassembler ⭐ 28
Chemoinformatics toolkit with support for inorganic molecules
total releases 1most recent commit 5 months ago
Metgem ⭐ 26
Calculation and visualization of molecular networks based on t-SNE algorithm
most recent commit 4 months ago
Glados ⭐ 18
New Web Interface for ChEMBL @ EMBL-EBI
most recent commit 4 years ago
Chemicalidentifiers.jl ⭐ 15
chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search
most recent commit 8 months ago
Organic Chemistry Reaction Prediction Using Nmt ⭐ 13
organic chemistry reaction prediction using NMT with Attention
most recent commit 5 years ago
Pychemlp ⭐ 6
Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known associated properties
most recent commit 5 years ago
Isomers_generator ⭐ 5
Python code for generate all the possible molecules starting from a chemical formula
most recent commit 4 months ago
The 3 Latest Releases In Chemistry Chemoinformatics Open Source Projects
Molassembler ⭐ 28
Chemoinformatics toolkit with support for inorganic molecules
total releases 1latest release October 29, 2022most recent commit 5 months ago
Chembl_webresource_client ⭐ 303
Official Python client for accessing ChEMBL API
total releases 1latest release May 28, 2022most recent commit a year ago
Psikit ⭐ 37
psi4+RDKit
total releases 6latest release November 07, 2020most recent commit 3 years ago
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