issues
search
deepmodeling
/
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
1.41k
stars
486
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
v2.2.11
#3940
njzjz
opened
11 hours ago
1
[feature request] Usage of `sel` when restarting from previous frozen model
#3939
wanghan-iapcm
opened
16 hours ago
1
[pre-commit.ci] pre-commit autoupdate
#3938
pre-commit-ci[bot]
opened
18 hours ago
2
[Feature Request] refactor the function interface in deepmd/pt/entrypoints/main.py
#3934
iProzd
opened
1 day ago
0
feat(pt/tf): add bias changing param/interface
#3933
iProzd
closed
4 hours ago
5
Does conda install of deepmd support Platform: linux-aarch64?
#3932
robinzyb
opened
2 days ago
4
fix(tf): prevent `fitting_attr` variable scope from becoming `fitting_attr_1`
#3930
njzjz
closed
14 hours ago
3
Bug: Error when loading a model with the se_a_mask descriptor
#3928
wanghan-iapcm
closed
3 hours ago
1
fix(pt): info typo in log
#3927
iProzd
closed
3 days ago
2
feat(pt/tf): init-(frz)-model use pretrain script
#3926
iProzd
opened
4 days ago
2
feat(pt): support multitask argcheck
#3925
iProzd
closed
10 hours ago
4
[BUG] lmp: error while loading shared libraries: libpnetcdf.so.4: cannot open shared object file: No such file or directory
#3923
leeeru1987
closed
4 days ago
2
feat: support array API
#3922
njzjz
closed
4 days ago
2
docs: developer docs for the universal unit tests
#3921
njzjz
opened
4 days ago
2
[BUG] RecursionError with dp compress in v2.2.10 with TF 2.15
#3920
kimurin
closed
5 days ago
2
pt: fix compile error when use intel mpi
#3919
CaRoLZhangxy
closed
1 hour ago
5
fix(cc,pt): translate PT exceptions to the DeePMD-kit exception
#3918
njzjz
closed
5 days ago
2
OP pt: add contiguous in grad output
#3917
CaRoLZhangxy
closed
4 days ago
2
fix(pt): fix seed in dpmodel fitting
#3916
iProzd
closed
5 days ago
2
feat(pt): support fine-tuning from random fitting
#3914
iProzd
closed
4 days ago
2
[Feature Request] Old implemetation of pytorch models need to be removed
#3913
iProzd
opened
6 days ago
0
Fix(load_library): When `ENABLE_CUSTOMIZED_OP = False`, change `op_info = None` to `op_info = {}`
#3912
Chengqian-Zhang
closed
6 days ago
2
[BUG] `TypeError: 'NoneType' object is not a mapping` when running `dp --pt train` in devel branch
#3911
Chengqian-Zhang
closed
6 days ago
0
[BUG] PT: in customized OPs, ensure input tensors have continuous memory
#3910
njzjz
closed
4 days ago
1
[BUG] Unable to calculate interaction forces
#3908
qinyj666
closed
6 days ago
0
Fail to run MD simulation with DP (pytorch backend)
#3907
ZhihaoXu0313
closed
6 days ago
3
fix(UT): rm extra `tearDown` in test_training.py
#3906
iProzd
closed
6 days ago
2
[Feature Request] Add universal tests for c/c++ interface.
#3905
iProzd
opened
1 week ago
0
[BUG] Zero thermal conductivity results when using DPA-2 model in 2024Q1 branch
#3904
iProzd
opened
1 week ago
0
[BUG] `source/tests/pt/test_training.py::TestFparam::test_dp_train` throws a warning (instead of an error)
#3901
njzjz
opened
1 week ago
1
[pre-commit.ci] pre-commit autoupdate
#3900
pre-commit-ci[bot]
closed
1 week ago
1
[Feature Request] Add `--use-pretrain-script` for init-model
#3899
iProzd
opened
1 week ago
0
feat(pt): support `training/profiling` argument in PT
#3897
njzjz
closed
1 week ago
3
docs: cleanup out-of-date doc_only_tf_supported in arguments
#3896
njzjz
closed
1 week ago
2
feat(pt): add more information to summary and error message of loading library
#3895
njzjz
closed
1 week ago
2
ci(wheel): build PT OPs
#3894
njzjz
closed
1 week ago
2
fix(cmake): fix OP_CXX_ABI_PT on macos/windows
#3893
njzjz
closed
1 week ago
2
[BUG] _Different result between `dp --pt test` and `DeepEval` for a fine-tuned multi-task model
#3892
SchrodingersCattt
closed
1 week ago
2
feat(pt): allow PT OP CXXABI different from TF
#3891
njzjz
closed
1 week ago
2
fix(cmake): fix PyTorch_LIBRARY_PATH
#3890
njzjz
closed
1 week ago
1
chore(ci): workaround to retry `error decoding response body` from uv
#3889
njzjz
closed
1 week ago
2
chore: replace `reduciable` with `reducible`
#3888
njzjz
closed
1 week ago
2
[BUG] _Python API Prediction Issue_
#3884
ZhihaoXu0313
closed
1 week ago
3
[pre-commit.ci] pre-commit autoupdate
#3883
pre-commit-ci[bot]
closed
2 weeks ago
1
build(deps): bump docker/build-push-action from 5 to 6
#3882
dependabot[bot]
closed
2 weeks ago
1
CI: set up CUDA environment
#3881
njzjz
closed
1 week ago
7
feat: add seeds to dpmodel and fix seeds in tf & pt
#3880
njzjz
closed
1 week ago
5
fix: add mendeleev to dependencies; remove dpdata; remove catching ImportError
#3878
njzjz
closed
2 weeks ago
4
pt: add 4 tabulate_fusion op
#3877
cherryWangY
closed
1 week ago
3
Feat/add dos finetune UT
#3876
anyangml
closed
2 weeks ago
2
Next