| Name | Version | Summary | date |
| py3Dmol |
2.4.2 |
An IPython interface for embedding 3Dmol.js views in Jupyter notebooks |
2024-11-08 22:19:23 |
| molecule-hetznercloud |
2.3.0 |
Molecule driver for Hetzner Cloud |
2024-08-19 08:21:34 |
| 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 |
| 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 |
| 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 |
| 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 |
| luna |
0.13.1 |
LUNA: drug discovery toolkit |
2023-07-12 12:22:10 |
| streamlit-ketchersa |
0.0.2 |
This library is a streamlit app for chemical or medical use that open and draw small molecules |
2023-05-29 22:28:16 |
| pytest-github-actions-annotate-failures |
0.2.0 |
pytest plugin to annotate failed tests with a workflow command for GitHub Actions |
2023-05-04 11:05:17 |
| molecule-vagrant |
2.0.0 |
Vagrant Molecule Plugin :: run molecule tests using Vagrant |
2023-01-06 21:46:40 |