| materialsproject/pymatgen |
1,254 |
|
135 |
225 |
about 2 years ago |
370 |
November 13, 2023 |
132 |
other |
Python |
| 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. |
| materialsvirtuallab/megnet |
444 |
|
0 |
0 |
almost 3 years ago |
0 |
|
21 |
bsd-3-clause |
Jupyter Notebook |
| Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals |
| materialsproject/crystaltoolkit |
116 |
|
0 |
1 |
over 2 years ago |
4 |
January 28, 2022 |
47 |
other |
Python |
| Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website. |
| BingqingCheng/ASAP |
113 |
|
0 |
0 |
over 2 years ago |
2 |
March 01, 2021 |
7 |
mit |
Python |
| ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures. |
| alexandre-lelain/components-extra |
81 |
|
0 |
2 |
almost 4 years ago |
69 |
August 03, 2021 |
2 |
mit |
TypeScript |
| React molecule-components based on Material-ui. |
| chao1224/Geom3D |
75 |
|
0 |
0 |
over 2 years ago |
1 |
August 09, 2023 |
3 |
mit |
Python |
| Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023 |
| BingqingCheng/ML-in-chemistry-101 |
17 |
|
0 |
0 |
over 5 years ago |
0 |
|
0 |
|
Jupyter Notebook |
| The course materials for "Machine Learning in Chemistry 101" |
| haidi-ustc/maptool |
7 |
|
0 |
0 |
over 5 years ago |
0 |
|
2 |
lgpl-3.0 |
Python |
| Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes. |
| peterbjorgensen/msgnet |
5 |
|
0 |
0 |
about 6 years ago |
0 |
|
0 |
mit |
Python |
| Tensorflow implementation of message passing neural networks for molecules and materials |
