Chem.cr
Library for dealing with computational chemistry files
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Rxnmapper | 215 | 9 months ago | 15 | January 05, 2021 | 1 | mit | Python | |||
| RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166). | ||||||||||
| Chemfiles | 150 | 2 | 5 months ago | 15 | August 28, 2022 | 45 | bsd-3-clause | C++ | ||
| Library for reading and writing chemistry files | ||||||||||
| Pdb2pqr | 99 |  | 1 | 3 | 4 months ago | 17 | January 24, 2022 | 40 | other | Python |
| PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules. | ||||||||||
| Atomium | 92 | a year ago | 4 | November 29, 2021 | 13 | mit | Python | |||
| Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production) | ||||||||||
| Openchemlib | 66 | 3 months ago | 226 | November 18, 2023 | 32 | other | Java | |||
| Open source Java-based chemistry library | ||||||||||
| Xyz2graph | 58 | 10 months ago | mit | Python | ||||||
| Convert an xyz file into a molecular graph and create a 3D visualisation of the graph. | ||||||||||
| Heisenberg | 48 | 4 years ago | 2 | October 31, 2019 | mit | Swift | ||||
| Chemical Structure Builder with Swift & iOS ⚛️🧪 | ||||||||||
| Atom Pwa | 42 | 9 months ago | 6 | mit | TypeScript | |||||
| Learn the basics of chemistry doing the tests and using the periodic table | ||||||||||
| Aimnet | 31 | 4 years ago | 3 | mit | Python | |||||
| Atoms In Molecules Neural Network Potential | ||||||||||
| Gochem | 25 | 1 | 3 years ago | 5 | November 02, 2021 | 4 | lgpl-2.1 | Go | ||
| A library for computational Chemistry in the Go programming language | ||||||||||
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