GitHub topics: conformer-generator
qcscine/molassembler
Chemoinformatics toolkit with support for inorganic molecules
Language: C++ - Size: 10.3 MB - Last synced at: 30 days ago - Pushed at: 8 months ago - Stars: 35 - Forks: 7
gcorso/torsional-diffusion
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
Language: Python - Size: 1.45 MB - Last synced at: 29 days ago - Pushed at: about 1 year ago - Stars: 259 - Forks: 46
e-dang/ConfBusterPlusPlus
RDKit implementation of ConfBuster - a macrocycle conformer generator. Available on conda.
Language: Python - Size: 18.7 MB - Last synced at: 25 days ago - Pushed at: almost 5 years ago - Stars: 7 - Forks: 3
patonlab/FullMonte 📦
Automated Monte Carlo Conformational Searching with Python
Language: Python - Size: 411 KB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 15 - Forks: 8
