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[Q] TensorNet optimization: warp kernels versus CUDA graph

Status: Open.

#391 In torchmd/torchmd-net;

· svandenhaute opened on May 17, 2026

Procedure for concatenating multiple trajectories (.npy format) from Adaptive sampling simulation

Status: Open.

#369 In torchmd/torchmd-net;

· SoumyaCYZ opened on Sep 26, 2025

SPICE dataset training for Periodic Boundary Conditions

Status: Open.

#363 In torchmd/torchmd-net;

· SungminKo-smko opened on Mar 18, 2025

Regarding training with schnet architecture

Status: Open.

#362 In torchmd/torchmd-net;

· SoumyaCYZ opened on Mar 1, 2025

Using TorchMD_ET to make node-level predictions

Status: Open.

#349 In torchmd/torchmd-net;

· arunraja-hub opened on Jan 14, 2025

How to Simulate Large System using TensorNet + OpenMM-Torch?

Status: Open.

#347 In torchmd/torchmd-net;

· kei0822kei opened on Nov 7, 2024

Couldn't import load_model from torchmdnet.models.model

Status: Open.

#346 In torchmd/torchmd-net;

· Tngyrn opened on Oct 27, 2024

MACEOFF dataset needs .get_atomref

Status: Open.

#344 In torchmd/torchmd-net;

· sef43 opened on Oct 8, 2024

Wrong kwarg name in output modules MLP

Status: Open.

#343 In torchmd/torchmd-net;

· sef43 opened on Oct 7, 2024

Query in Training and simulation of Chignolin using TorchMD

Status: Open.

#340 In torchmd/torchmd-net;

· Awesomium10 opened on Aug 23, 2024

Scalar, vector and tensor properties

Status: Open.

#339 In torchmd/torchmd-net;

· marvcks opened on Aug 23, 2024

Loss Function vs epoch plot while training

Status: Open.

#338 In torchmd/torchmd-net;

· Awesomium10 opened on Aug 16, 2024