| Name | Version | Summary | date |
| molscraper-tool |
1.0.0 |
Chemical data extraction tool for researchers and chemists |
2025-07-23 04:09:52 |
| ESPNN |
1.0.1 |
Electronic Stopping Power Neural Network predictor |
2025-07-16 22:57:14 |
| radis |
0.16.3 |
A fast line-by-line code for high-resolution infrared molecular spectra |
2025-07-16 21:09:37 |
| molecule-benchmarks |
0.1.12 |
A comprehensive benchmark suite for evaluating generative models for molecules |
2025-07-08 15:49:38 |
| packmol-step |
2025.1.29 |
A SEAMM plug-in for building periodic boxes of fluid using Packmol |
2025-01-29 21:32:15 |
| gotennet-pytorch |
0.2.5 |
GotenNet in Pytorch |
2025-01-06 18:11:01 |
| read-structure-step |
2025.1.3.1 |
A SEAMM plug-in to read common formats in computational chemistry |
2025-01-03 22:35:49 |
| safe-mol |
0.1.13 |
Implementation of the 'Gotta be SAFE: a new framework for molecular design' paper |
2024-11-27 08:25:46 |
| equiformer-pytorch |
0.5.4 |
Equiformer - SE3/E3 Graph Attention Transformer for Molecules and Proteins |
2024-11-17 14:18:04 |
| chemiscope |
0.8.3 |
Helpers to work with the chemiscope interactive structure/property explorer for materials and molecules |
2024-11-13 15:32:57 |
| pymsym |
0.3.3 |
libmsym python binding |
2024-04-24 03:17:15 |