| Name | Version | Summary | date |
| chemistry-tools |
1.0.1 |
Python tools for analysis of chemical compounds. |
2024-04-18 14:19:27 |
| modelisation |
0.0.8 |
Modéliser des points expérimentaux |
2024-04-17 10:29:14 |
| FGFinder |
1.0.0 |
A package to identify functional groups in molecules. |
2024-04-12 19:06:27 |
| chemprop |
1.7.1 |
Molecular Property Prediction with Message Passing Neural Networks |
2024-04-12 18:07:55 |
| sumo2 |
0.0.1 |
Heavy weight plotting tools for ab initio solid-state calculations |
2024-04-08 11:00:27 |
| load-atoms |
0.2.14 |
Large Open Access Datasets for Atomistic Materials Science (LOAD-AtoMS) |
2024-04-06 05:04:55 |
| aquasol |
1.6.0 |
Thermodynamic and physico-chemical properties for water and aqueous solutions |
2024-03-19 15:46:43 |
| octadist |
3.1.0 |
OctaDist: A tool for calculating distortion parameters in molecule. |
2024-03-19 13:47:23 |
| kda |
0.3.0 |
Kinetic Diagram Analysis tools |
2024-03-19 02:29:07 |
| gopem |
0.8 |
GOPEM is a graphical user interface of OPEM |
2024-03-17 04:01:14 |
| opem |
1.4 |
Open Source PEM Cell Simulation Tool |
2024-03-16 16:21:33 |
| pylattica |
0.1.3 |
pylattica is a package for fast prototyping of lattice models for chemistry and materials science |
2024-03-13 18:40:32 |
| svante |
0.4.1 |
Configurable Arrhenius plots with uncertainties and ratios |
2024-03-11 22:38:19 |
| cprex |
0.3.0 |
Chemical Properties Relation Extraction |
2024-03-08 16:47:08 |
| acepython |
0.0.14 |
Python wrapper for the FORTRAN ACE code. |
2024-03-08 12:20:43 |
| prolif |
2.0.2 |
Interaction Fingerprints for protein-ligand complexes and more |
2024-03-06 23:38:18 |
| fplore |
0.6 |
FPLO run evaluation |
2024-03-04 14:38:49 |
| pyvalem |
2.5.16 |
A package for managing simple chemical species and states |
2024-03-01 16:46:54 |
| shakenbreak |
3.3.1 |
Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations. |
2024-02-29 22:42:03 |
| cbsyst |
0.4.9 |
Tools for calculating ocean C and B chemistry. |
2024-02-29 18:14:25 |