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Package Usage: conda: torchani

Accurate Neural Network Potential on PyTorch
3 versions
Latest release: about 2 years ago
3 dependent packages

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

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

Dependent Repos 7

Yoshanuikabundi/openff-binder
EXPERIMENTAL: Environment for the entire OpenFF stack
  • environment.yml

Size: 51.8 KB - Last synced: about 1 year ago - Pushed: almost 2 years ago

AIScienceTutorial/intro-to-bayesian-optimization
  • environment.yml

Size: 16.8 MB - Last synced: 7 months ago - Pushed: about 3 years ago

DanaResearchGroup/AM3DB
3D Atom Mapping Database
  • environment.yml

Size: 821 KB - Last synced: about 1 year ago - Pushed: over 1 year ago

raimis/NNPOps Fork of openmm/NNPOps
High-performance operations for neural network potentials
  • 2.2.2 environment.yml

Size: 296 KB - Last synced: about 1 year ago - Pushed: about 1 year ago

fjclark/ani_mmml_corrections
Scripts for carrying out mm->ml corrections with ANI
  • 2.2 environment.yml

Size: 4.92 MB - Last synced: about 1 year ago - Pushed: about 1 year ago

openmm/NNPOps
High-performance operations for neural network potentials
  • 2.2.2 environment.yml

Size: 225 KB - Last synced: about 2 months ago - Pushed: 3 months ago

globus-labs/conformer-optimization
Code for finding the ground state conformer
  • environment.yml

Size: 72.3 KB - Last synced: about 1 year ago - Pushed: over 1 year ago

meyresearch/ANI-Peptides
  • environment.yml

Size: 14 MB - Last synced: about 1 year ago - Pushed: about 2 years ago

ghutchis/boptimol
Bayesian geometry optimization experiments
  • environment.yml

Size: 24.2 MB - Last synced: 7 months ago - Pushed: 7 months ago

chemle/emle-engine
An engine for electrostatic ML embedding for multiscale modelling.
  • environment.yaml

Size: 2.96 MB - Last synced: 7 days ago - Pushed: 7 days ago

aminrezasefid/GeoMol-cloned
  • 2.2.2 environment.yml

Size: 64.3 MB - Last synced: 7 months ago - Pushed: 7 months ago