Paolo Tosco's repositories
ptosco.github.io
ptosco GitHub page
BioSimSpace
Code and resources for the EPSRC BioSimSpace project.
conda-rdkit
Conda build recipe for the rdkit
coordgenlibs
Schrodinger-developed 2D Coordinate Generation
datagrok-ai-public
Public package repository for the Datagrok.ai platform
freenrgworkflows
Software for automated processing of alchemical free energy calculations
knime-rdkit
The RDKit nodes for the KNIME Analytics Platform
pandas
Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more
pybind11-stubgen
Generate stubs for python modules
pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
rdkit-feedstock
A conda-smithy repository for rdkit.
rdkit-js
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
rdkit-pypi
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
surechembl-data-client
A collection of scripts for retrieving, storing, and querying SureChEMBL data.
UGM_2023
Materials from the 2023 RDKit UGM
wineditline
An EditLine API implementation for the native Windows Console