deepmodeling/deepmd-kit

Issues

• There might be a overflow problem here for multiply int numbers.

  #4551 opened 3 hours ago
  0

• [BUG] OOM in `DeepPot.eval_descriptor` while `dp test` works

  #4544 opened 3 days ago
  1

• DeePMD-kit PyTorch backend error

  #4540 opened 3 hours ago
  8

• [BUG] (tf backend) Print NAN when training dipole model with reference data

  #4536 opened 6 days ago
  7

• [BUG] eval_descriptor have bug while used for MultiSystems

  #4533 opened 6 days ago
  6

• [BUG] Error during Running LAMMPS: PyTorch Backend JIT Error in forward_lower function

  #4530 opened 8 days ago
  2

• [BUG] Dipole training not working with any hybrid descriptor combination

  #4527 opened 2 days ago
  1

• [BUG] duplicated output of `lcurve.out`

  #4522 opened 13 days ago
  1

• [BUG] No error reported when data's element is not present in `input.json`

  #4519 opened 14 days ago
  2

• Unrecognized pair style 'deepmd' (src/force.cpp:275)

  #4518 opened 11 days ago
  2

• [Feature Request] Add discussion template

  #4506 opened 18 days ago
  0

• [Feature Request] use eval_descriptor function in command-line

  #4503 opened 19 days ago
  0

• [BUG] Inconsistent optimization trajectories when using DPA2 and ASE

  #4502 opened 18 days ago
  4

• [BUG] backend problems

  #4500 opened 11 days ago
  1

• Train result analysis

  #4494 opened 16 days ago
  2

• [BUG] function `j_loader` does not properly raise when input file non-existing and not with expected extension name

  #4490 opened 21 days ago
  0

• [BUG] OOM when using ASE

  #4481 opened 20 days ago
  4

• The se_a descriptor cannot utilize all cores when trained on the cpu

  #4474 opened 18 days ago
  5

• Encounter program crash when using the deepmdkit and dpgen

  #4462 opened a month ago
  2

• [BUG] seeds can't fix the training

  #4457 opened a month ago
  4

• data stating takes too long

  #4454 opened a month ago
  4

• How to use the DPA-2 pretrained model for MD simulation

  #4443 opened a month ago
  1

• [BUG] seed is unsafe in TF parallel training

  #4440 opened 15 days ago
  0

• [Feature Request] C++ PyTorch profiler

  #4431 opened 2 months ago
  0

• [Feature Request] Array API data stat

  #4430 opened 2 months ago
  0

• [Feature Request] Array API loss

  #4429 opened 6 days ago
  0

• [Feature Request] JAX training

  #4428 opened 2 months ago
  0

• [BUG] Incomplete and risky bias statistics

  #4424 opened 2 months ago
  0

• FileNotFoundError when Train DPA-2 model from scratch，but the file actually exists

  #4422 opened 2 months ago
  0

• The DP distillation model ( model.pth by dp --pt freeze) encounters an MPI error when run with LAMMPS for a system of 32,000 atoms, but works well for a 2-atom system

  #4421 opened a month ago
  7

• The torch backend compress error

  #4416 opened 2 months ago
  3

• [Feature Request] L1 L2 Regularization

  #4415 opened 2 months ago
  3