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Issues list

Position-dependent charge for electrostatistics
#156 opened Oct 5, 2024 by smlee99
1
Expose properties from model other than forces and energies?
#155 opened Sep 18, 2024 by orionarcher
12
Release v1.5
#154 opened Aug 28, 2024 by RaulPPelaez
1
Windows build?
#149 opened Jul 5, 2024 by sef43
How to create a CompoundThermodynamicState from a torchForce object with global parameter
#147 opened Jun 24, 2024 by xiaowei-xie2
3
Suggestions for CUDA 11 & 12 handling in Conda environment file
#146 opened Jun 8, 2024 by jakirkham
Support parameter derivatives enhancement New feature or request
#141 opened May 14, 2024 by peastman
1
1
How to use global parameter and PBC at the same time?
#140 opened May 14, 2024 by xiaowei-xie2
1
10
OpenMMException when adding TorchForce to the system
#134 opened Feb 11, 2024 by dmighty007
6
Clarification of water box simulation setup
#132 opened Feb 4, 2024 by varun-go
6
Supporting any Torch model (not just TorchScript)
#131 opened Jan 30, 2024 by RaulPPelaez
3
Support for multivariate collective variable
#129 opened Jan 21, 2024 by ShashankSule
1
Multi-GPU support?
#125 opened Oct 14, 2023 by jchodera
8
Compatibility with AMD GPUs enhancement New feature or request
#111 opened Jul 11, 2023 by svandenhaute
3
Conda build with pre-cxx11 ABI help wanted Extra attention is needed
#102 opened Mar 24, 2023 by yaoyic
5
conda-forge builds do not install properly on linux without CUDA help wanted Extra attention is needed
#94 opened Jan 17, 2023 by sef43
5
Segmentation fault upon creating the Context when adding both RMSD biased force and Torch Force help wanted Extra attention is needed
#87 opened Nov 3, 2022 by JustinAiras
11
Second step fails help wanted Extra attention is needed
#84 opened Oct 16, 2022 by moradza
5
Problems on Macs help wanted Extra attention is needed
#67 opened Feb 17, 2022 by peastman
1
Improve the installation instruction from source documentation Improvements or additions to documentation
#64 opened Feb 8, 2022 by raimis
1
Add example of using NNPOps with openmm-torch? documentation Improvements or additions to documentation
#59 opened Jan 21, 2022 by jchodera
1
@raimis
8
Allow torch model to be used as Integrator enhancement New feature or request
#56 opened Jan 15, 2022 by jchodera
5
TorchForce missing getNumGlobalParameters() method enhancement New feature or request
#44 opened Aug 26, 2021 by dominicrufa
15
Error when building from source help wanted Extra attention is needed
#40 opened Jul 1, 2021 by xqding
1
Slow speed with torchANI simulations on the GPU help wanted Extra attention is needed
#35 opened May 14, 2021 by jeff231li
10
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