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The Top 10 Molecule Open Source Projects

Open source projects categorized as Molecule
Categories  > Science  > Molecule
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rdkit/rdkit ⭐ 2,323
The official sources for the RDKit library
dependent packages 0 total releases 0 most recent commit about 2 years ago
danilowoz/react-atomic-design ⭐ 1,525
🔬 How the Atomic Design methodology can create a great design system from scratch and make better developers.
dependent packages 0 total releases 0 most recent commit over 3 years ago
chemprop/chemprop ⭐ 1,405
Message Passing Neural Networks for Molecule Property Prediction
dependent packages 0 total releases 0 most recent commit about 2 years ago
materialsproject/pymatgen ⭐ 1,254
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
dependent packages 0 total releases 0 most recent commit about 2 years ago
FoldingAtHome/coronavirus ⭐ 1,108
Folding@home COVID-19 efforts
dependent packages 0 total releases 0 most recent commit over 5 years ago
cloudalchemy/ansible-prometheus ⭐ 1,101
Deploy Prometheus monitoring system
dependent packages 0 total releases 0 most recent commit about 3 years ago
ansible/awx-operator ⭐ 1,082
An Ansible AWX operator for Kubernetes built with Operator SDK and Ansible. 🤖
dependent packages 0 total releases 0 most recent commit about 2 years ago
mims-harvard/TDC ⭐ 889
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science
dependent packages 0 total releases 0 most recent commit over 2 years ago
molecularsets/moses ⭐ 730
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
dependent packages 0 total releases 0 most recent commit over 2 years ago
BradyAJohnston/MolecularNodes ⭐ 729
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
dependent packages 0 total releases 0 most recent commit about 2 years ago
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