Search results

Allow getNeighborPairs cutoff to be larger than half the box width?

Status: Open.

#119 In openmm/NNPOps;

· orionarcher opened on Oct 8, 2024

Compilation

Status: Open.

#116 In openmm/NNPOps;

· BJWiley233 opened on Mar 2, 2024

Allow passing the box vectors in CFConvNeighbors

Status: Open.

#114 In openmm/NNPOps;

· RaulPPelaez opened on Oct 3, 2023

Incorrect library name on Mac

Status: Open.

#102 In openmm/NNPOps;

· peastman opened on May 19, 2023

Neigbors for >128K particles

Status: Open.

#101 In openmm/NNPOps;

· RaulPPelaez opened on May 5, 2023

Full listing of available operations?

questionFurther information is requestedFurther information is requested

Status: Open.

#95 In openmm/NNPOps;

· Linux-cpp-lisp opened on Mar 20, 2023

Unifying code formatting

questionFurther information is requestedFurther information is requested

Status: Open.

#87 In openmm/NNPOps;

· RaulPPelaez opened on Mar 3, 2023

torchani faster than nnpops for larger systems?

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#85 In openmm/NNPOps;

· wiederm opened on Mar 2, 2023

Torch problems when using NNPOps with Openmm-ML

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#76 In openmm/NNPOps;

· zanebeckwith opened on Jan 10, 2023

Add OSX to CI testing matrix

Status: Open.

#62 In openmm/NNPOps;

· mikemhenry opened on Jul 27, 2022

Error building with CUDA

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#53 In openmm/NNPOps;

· peastman opened on Mar 17, 2022

CI with GPU

enhancementNew feature or requestNew feature or request

Status: Open.

#46 In openmm/NNPOps;

· raimis opened on Dec 13, 2021