timvdm / Helium
A lightweight generic cheminformatics toolkit
☆19Updated 8 years ago
Related projects ⓘ
Alternatives and complementary repositories for Helium
- Perception and labelling of stereogenic centres in chemical structures☆17Updated 9 months ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆11Updated 3 years ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆14Updated 9 years ago
- Chemical perception tree automated exploration tool.☆19Updated 6 years ago
- Utilities for working with the RDKit☆20Updated 8 years ago
- Repository for Chemical Perception Sampling Tools☆19Updated 3 months ago
- Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)☆18Updated 3 months ago
- Shape-based alignment of molecules using 3D point-based representation