Package Usage: pypi: stk
108 versions
Latest release: almost 2 years ago
1 dependent package
969 downloads last month
View more package details: https://packages.ecosyste.ms/registries/pypi.org/packages/stk
Dependent Repos 5
nickdeveaux/Defaults
Developer defaultsSize: 523 KB - Last synced: about 2 years ago - Pushed: almost 7 years ago
yashpatel5400/idp_rl
TorsionNet extension to apply RL to IDPsSize: 49.5 MB - Last synced: about 2 years ago - Pushed: over 2 years ago
andrewtarzia/stk-examples
Some example usages of stk (and stko, mchammer)Size: 8.12 MB - Last synced: 19 days ago - Pushed: 12 months ago
ZimmermanGroup/conformer-rl
A deep reinforcement learning library for conformer generation.Size: 177 MB - Last synced: 14 days ago - Pushed: about 1 year ago
andrewtarzia/starships
Toy model generation of starshipsSize: 1.97 MB - Last synced: 7 days ago - Pushed: 7 days ago
austin-mroz/SMORES
Calculation of electric-field-based steric (Sterimol) parameters.Size: 4.2 MB - Last synced: 10 days ago - Pushed: over 1 year ago
andrewtarzia/big_unsymm
Construct and study large cages with unsymmetrical ligandsSize: 84 KB - Last synced: about 2 months ago - Pushed: over 2 years ago
andrewtarzia/CGExplore
A general tool set for working with coarse-grained stk modelsSize: 5.95 MB - Last synced: 3 days ago - Pushed: 3 months ago
JelfsMaterialsGroup/stko
A collection of molecular optimisers and property calculators for use with stk.Size: 1.94 MB - Last synced: about 1 year ago - Pushed: about 1 year ago
cb1319/Geom3D
MSci Project 2023-2024Size: 211 MB - Last synced: 12 months ago - Pushed: 12 months ago
kernelCruncher/MFBO
A repo to store work for MFBOSize: 22.5 MB - Last synced: 8 months ago - Pushed: 8 months ago
