Ecosyste.ms: Repos

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Package Usage: conda: geometric

Geometry optimization code that includes the TRIC coordinate system
12 versions
Latest release: over 1 year ago
4 dependent packages

View more package details: https://packages.ecosyste.ms/registries/anaconda.org/packages/geometric

View more repository details: https://repos.ecosyste.ms/hosts/GitHub/repositories/leeping%2FgeomeTRIC

Dependent Repos 4

openforcefield/openff-sage
Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.
  • environment.yaml

Size: 2.39 MB - Last synced: 8 months ago - Pushed: 8 months ago

vksastry/gnn_anl_gc_collab
  • 0.9.* electrolyte-design/environment.yml

Size: 27.2 MB - Last synced: 11 months ago - Pushed: over 1 year ago

exalearn/electrolyte-design
Workflow tools for electrolyte design project
  • 0.9.* environment.yml

Size: 11 MB - Last synced: over 1 year ago - Pushed: over 1 year ago

ExaWorks/molecular-design-parsl-demo
  • 0.9.* environment.yml

Size: 1.66 MB - Last synced: about 1 year ago - Pushed: over 1 year ago

kncrabtree/che155
CHE 155: Scientific Programming with Python
  • assets/text/environment.yml

Size: 20.3 MB - Last synced: about 1 year ago - Pushed: about 1 year ago

TinkerTools/poltype2
Poltype 2: Automated Parameterization and Free Energy Prediction for AMOEBA
  • 0.9.7.2 Environments/environment.yml

Size: 519 MB - Last synced: 16 days ago - Pushed: 17 days ago