Structuregraph Helpers
Helpers for working with pymatgen structure graphs.
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Moleculargraph.jl | 177 | 4 months ago | 17 | mit | Julia | |||||
| Graph-based molecule modeling toolkit for cheminformatics | ||||||||||
| Dl4moleculargraph | 146 | 3 years ago | ||||||||
| Literature of deep learning for graphs in Chemistry and Biology | ||||||||||
| Molecules | 64 | 7 years ago | mit | JavaScript | ||||||
| chemical graph theory library for JavaScript | ||||||||||
| 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 ⚛️🧪 | ||||||||||
| Graph Nvp | 44 | 5 years ago | 1 | mit | Python | |||||
| GraphNVP: An Invertible Flow Model for Generating Molecular Graphs | ||||||||||
| Stoichiograph | 37 | 7 years ago | 3 | May 16, 2017 | 1 | mit | Python | |||
| Spell words with elemental symbols from the periodic table ("He", "Cu", etc). | ||||||||||
| Graph Neural Networks | 33 | 6 years ago | 2 | Python | ||||||
| Graph Neural Networks for Quantum Chemistry | ||||||||||
| Molassembler | 28 | 6 months ago | 1 | October 29, 2022 | 4 | bsd-3-clause | C++ | |||
| Chemoinformatics toolkit with support for inorganic molecules | ||||||||||
| Metgem | 26 | 5 months ago | 4 | gpl-3.0 | Python | |||||
| Calculation and visualization of molecular networks based on t-SNE algorithm | ||||||||||
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