periodictable

github.com/pkienzle/periodictable
Active172updated 4 months ago
Python
NOASSERTION

This package provides a periodic table of the elements with support for mass, density and xray/neutron scattering information.

Sourced from

  • GitHub — github.com/pkienzle/periodictable
  • Awesome Python Chemistry — github.com/pkienzle/periodictable

Related resources

AstraZeneca's industrial-grade retrosynthetic planning tool using MCTS to recursively decompose molecules into purchasable precursors, with multi-step route scoring and support for custom one-step models (v4.0, 2024)

Active8916 months ago
Python
MIT

- Molecular Manipulation Made Easy. A light wrapper build on top of RDKit.

Active5501 month ago
Python
Apache-2.0

Hierarchical Generation of Molecular Graphs using Structural Motifs.

Stale4434 years ago
Python
MIT

Predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

Active3812 months ago
Python
LGPL-2.1

A toolkit for visualizations in materials informatics.

Active3352 weeks ago
Python
MIT

A library for building, manipulating, analyzing and automatic design of molecules, including a genetic algorithm.

Idle2919 months ago
Python
MIT