Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Awesome Python Chemistry | 971 | 3 months ago | 2 | other | ||||||
A curated list of Python packages related to chemistry | ||||||||||
Awesome Materials Informatics | 310 | 5 months ago | ||||||||
Curated list of known efforts in materials informatics = modern materials science | ||||||||||
Mlearn | 83 | 2 years ago | 1 | bsd-3-clause | Python | |||||
Benchmark Suite for Machine Learning Interatomic Potentials for Materials | ||||||||||
Geom3d | 75 | 3 months ago | 1 | August 09, 2023 | 3 | mit | Python | |||
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023 | ||||||||||
Foundry | 71 | 2 | 2 months ago | 29 | November 13, 2023 | 92 | mit | Python | ||
Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry | ||||||||||
Ml4chem | 64 | 3 years ago | 10 | March 07, 2020 | 8 | other | Python | |||
ML4Chem: Machine Learning for Chemistry and Materials | ||||||||||
Elemnet | 60 | 2 years ago | 2 | other | Jupyter Notebook | |||||
Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction | ||||||||||
Qmflows | 44 | 4 | 5 | 6 months ago | 9 | October 06, 2023 | 1 | other | Python | |
This library tackles the construction and efficient execution of computational chemistry workflows | ||||||||||
Thermoparser | 31 | 6 months ago | agpl-3.0 | Python | ||||||
A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science. | ||||||||||
Labgraph | 18 | 7 months ago | Python | |||||||
A graph database tool for experimental data in materials science and chemistry. |