| Name | Version | Summary | date |
| adg |
3.1.0 |
A powerful diagram generator and evaluator for many-body formalisms in physics and chemistry |
2023-08-09 11:35:17 |
| chemcoord |
2.1.0 |
Python module for dealing with chemical coordinates. |
2023-08-04 14:14:21 |
| pygtop |
2.1.5 |
A Python wrapper for the Guide to PHARMACOLOGY API. It provides a Python interface for access to the GtoP database. |
2023-08-03 16:13:10 |
| 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 |
| mols2grid |
2.0.0 |
Interactive 2D small molecule viewer |
2023-07-29 18:15:29 |
| toff |
0.1.0 |
toff is a python package to get topologies from the OpenFF initiative |
2023-07-27 13:30:22 |
| bokehmol |
0.1.0a3 |
Tools for plotting molecules in Bokeh |
2023-07-20 23:22:40 |
| flowchem-test |
0.1b4 |
Add support for test devices in flowchem. |
2023-07-13 22:09:24 |
| atomlib |
0.3 |
A collection of utilities to manipulate atomic structures |
2023-07-11 18:31:31 |
| ILThermoPy |
1.0.0 |
A simple Python wrapper around the ILThermo 2.0 database |
2023-06-28 20:53:33 |
| qiskit-xyz2pdb |
0.1.2 |
A simple Python package to convert XYZ files from Qiskit output into PDB structures |
2023-06-23 21:36:27 |
| cheminftools |
0.1.4 |
A collection of tools for daily cheminformatics tasks. |
2023-06-08 22:06:26 |
| adcc |
0.15.17 |
adcc: Seamlessly connect your host program to ADC |
2023-06-08 12:19:52 |
| AaronTools |
1.0b19 |
Tools for measuring and manipulating molecular structures |
2023-05-30 00:48:55 |
| 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 |
| chemfiles |
0.10.4 |
Read and write computational chemistry files |
2023-05-23 10:49:17 |
| streamlit-seqviz |
0.0.5 |
This library is a streamlit app for chemical or medical use that show DNA sequences effectively |
2023-05-22 07:57:23 |
| molplotly |
1.1.8 |
molplotly is an add-on to plotly built on RDKit which allows 2D images of molecules to be shown in scatterplots when hovering over the datapoints. |
2023-05-06 16:12:35 |
| piro |
2023.4.24 |
piro is software designed to assist in planning of synthesis pathways for inorganics |
2023-04-24 22:38:18 |
| geomm |
0.2.1 |
A simple no-nonsense library for computing common geometry on macromolecular systems. |
2023-04-21 15:19:34 |