| Name | Version | Summary | date |
| rdeditor |
0.2.0 |
An RDKit based molecule editor using PySide |
2024-05-02 12:56:27 |
| py3Dmol |
2.1.0 |
An IPython interface for embedding 3Dmol.js views in Jupyter notebooks |
2024-03-12 12:28:02 |
| isovec |
1.2.2 |
A package to calculate atomic, weight or volume composition of (custom) elements, molecules and mixtures, down to isotopic composition. |
2024-03-06 16:29:05 |
| molecule-hetznercloud |
2.1.1 |
Molecule driver for Hetzner Cloud |
2024-02-09 19:14:08 |
| molecule-plugins |
23.5.3 |
Molecule Plugins |
2024-02-08 11:46:37 |
| molecule |
6.0.3 |
Molecule aids in the development and testing of Ansible roles |
2023-12-13 13:38:27 |
| bioexplorer |
1.7.1 |
Python API for the Blue Brain BioExplorer |
2023-12-12 17:13:19 |
| molecule-glesys |
0.5 |
Molecule GleSYS Plugin :: run molecule tests in GleSYS Cloud |
2023-11-14 07:33:54 |
| from-smiles-step |
2023.11.10 |
A SEAMM plug-in for creating structures from a SMILES string. |
2023-11-10 11:15:07 |
| pdbeccdutils |
0.8.4 |
Toolkit to deal with wwPDB chemical components definitions for small molecules. |
2023-10-31 09:39:07 |
| mol-ga |
0.1.1 |
Simple genetic algorithms for 2D molecular design. |
2023-10-12 11:08:38 |
| papyrus-structure-pipeline |
0.0.5 |
Papyrus Structure Pipeline |
2023-09-20 10:51:33 |
| ccsd |
0.3.3 |
CCSD (Combinatorial Complex Score-based Diffusion) is a sophisticated score-based diffusion model designed to generate Combinatorial Complexes using Stochastic Differential Equations. This cutting-edge approach enables the generation of complex objects with higher-order structures and relations, thereby enhancing our ability to learn underlying distributions and produce more realistic objects. |
2023-09-18 09:25:22 |
| thermo |
0.2.27 |
Chemical properties component of Chemical Engineering Design Library (ChEDL) |
2023-09-17 22:18:08 |
| chemicals |
1.1.5 |
Chemical properties component of Chemical Engineering Design Library (ChEDL) |
2023-09-17 21:57:57 |
| molecule-plugin-lxd |
0.6.0 |
Molecule LXD Plugin |
2023-09-15 08:43:47 |
| RDMC |
0.1.0 |
A light-weight software package with expertise in handling Reaction Data and Molecular (including transitions states) Conformers. |
2023-09-14 03:24:48 |
| amfpy-python |
0.1.5 |
Absolute Molecule File library extension for python |
2023-08-18 13:14:47 |
| rdfreader |
1.0.2 |
Read the full contents of CTAB .rdf files in python. Captures RXN and MOL record using RDKit and reads additional data fields (including solvents/catalysts/agents). |
2023-08-03 09:13:46 |
| pytest-molecule-JC |
2.0.0.post2 |
PyTest Molecule Plugin :: discover and run molecule tests |
2023-07-18 13:25:48 |