| lmmentel/awesome-python-chemistry |
971 |
|
0 |
0 |
over 2 years ago |
0 |
|
2 |
other |
|
| A curated list of Python packages related to chemistry |
| tilde-lab/awesome-materials-informatics |
310 |
|
0 |
0 |
over 2 years ago |
0 |
|
0 |
|
|
| Curated list of known efforts in materials informatics = modern materials science |
| materialsvirtuallab/mlearn |
83 |
|
0 |
0 |
about 4 years ago |
0 |
|
1 |
bsd-3-clause |
Python |
| Benchmark Suite for Machine Learning Interatomic Potentials for Materials |
| chao1224/Geom3D |
75 |
|
0 |
0 |
over 2 years ago |
1 |
August 09, 2023 |
3 |
mit |
Python |
| Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023 |
| MLMI2-CSSI/foundry |
71 |
|
0 |
2 |
about 2 years ago |
29 |
November 13, 2023 |
92 |
mit |
Python |
| Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry |
| muammar/ml4chem |
64 |
|
0 |
0 |
about 5 years ago |
10 |
March 07, 2020 |
8 |
other |
Python |
| ML4Chem: Machine Learning for Chemistry and Materials |
| NU-CUCIS/ElemNet |
60 |
|
0 |
0 |
almost 4 years ago |
0 |
|
2 |
other |
Jupyter Notebook |
| Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction |
| SCM-NV/qmflows |
44 |
|
4 |
5 |
over 2 years ago |
9 |
October 06, 2023 |
1 |
other |
Python |
| This library tackles the construction and efficient execution of computational chemistry workflows |
| SMTG-Bham/ThermoParser |
31 |
|
0 |
0 |
over 2 years ago |
0 |
|
0 |
agpl-3.0 |
Python |
| A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science. |
| Aman9026/FirstYear |
18 |
|
0 |
0 |
almost 6 years ago |
0 |
|
0 |
unlicense |
Jupyter Notebook |
| This repository contains the work I've done in my first year along with some study materials which I had collected. |
