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Installation of PyTorch when build from source

Status: Open.

#168 In openmm/openmm-torch;

· CalvinGe opened on May 11, 2025

Add new parameters in forward function

Status: Open.

#163 In openmm/openmm-torch;

· CalvinGe opened on Nov 16, 2024

Error with installing openmmtorch and torch_scatter/torch_geometric

Status: Open.

#162 In openmm/openmm-torch;

· AdeeshKolluru opened on Nov 14, 2024

Position-dependent charge for electrostatistics

Status: Open.

#156 In openmm/openmm-torch;

· smlee99 opened on Oct 5, 2024

Expose properties from model other than forces and energies?

Status: Open.

#155 In openmm/openmm-torch;

· orionarcher opened on Sep 18, 2024

Windows build?

Status: Open.

#149 In openmm/openmm-torch;

· sef43 opened on Jul 5, 2024

How to create a CompoundThermodynamicState from a torchForce object with global parameter

Status: Open.

#147 In openmm/openmm-torch;

· xiaowei-xie2 opened on Jun 24, 2024

Suggestions for CUDA 11 & 12 handling in Conda environment file

Status: Open.

#146 In openmm/openmm-torch;

· jakirkham opened on Jun 8, 2024

Support parameter derivatives

enhancementNew feature or requestNew feature or request

Status: Open.

#141 In openmm/openmm-torch;

· peastman opened on May 14, 2024

How to use global parameter and PBC at the same time?

Status: Open.

#140 In openmm/openmm-torch;

· xiaowei-xie2 opened on May 14, 2024

OpenMMException when adding TorchForce to the system

Status: Open.

#134 In openmm/openmm-torch;

· dmighty007 opened on Feb 11, 2024

Clarification of water box simulation setup

Status: Open.

#132 In openmm/openmm-torch;

· varun-go opened on Feb 4, 2024