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deepmodeling
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dpgen2
2nd generation of the Deep Potential GENerator
https://docs.deepmodeling.com/projects/dpgen2/
GNU Lesser General Public License v3.0
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refactor: move ase import into function
#194
wangzyphysics
closed
4 months ago
1
add template_slice_config to run_train_config
#193
zjgemi
closed
5 months ago
2
dpgen2 showkey seems not work at debug mode
#192
scott-5
closed
4 months ago
2
how to set group_size in run_train_config?
#191
scott-5
closed
5 months ago
2
Add CP2K support for dpgen2
#190
Cloudac7
closed
2 weeks ago
7
Does dpgen2 support use in HPC?
#189
scott-5
closed
5 months ago
1
Feat calypso op
#188
wangzyphysics
closed
4 months ago
2
refactorize ExplorationTaskGroup.
#187
wanghan-iapcm
closed
5 months ago
1
Support different backends for DeePMD-kit
#186
njzjz
closed
3 months ago
0
RFC: Refactor DPGEN2 with a new design
#185
link89
opened
5 months ago
2
allow executor in debug mode
#184
zjgemi
closed
5 months ago
2
move to ruff formatter
#181
njzjz
closed
7 months ago
1
dpgen2 can not support CP2K
#180
smclucky
closed
2 weeks ago
1
argcheck: restrict the type of elements in a list
#179
njzjz
closed
8 months ago
2
add UT for abacus/fix getattr value/add restart subcommand
#177
zjgemi
closed
9 months ago
1
remove the support of old style input
#176
wanghan-iapcm
closed
9 months ago
1
Improve the document
#175
wanghan-iapcm
closed
9 months ago
1
add support for fpop ABACUS
#174
zjgemi
closed
9 months ago
1
make student_model_path optional in distillation
#173
zjgemi
closed
9 months ago
1
Add `dpgui` entry point and `dpgen2 gui` CLI
#172
njzjz
closed
9 months ago
1
fix: correct the position of import dpgen2 in tests
#171
wanghan-iapcm
closed
9 months ago
1
fix rtd
#170
wanghan-iapcm
closed
9 months ago
1
docs: add RTD file
#169
njzjz
closed
9 months ago
0
pyright: ignore version file generated by latest setuptools-scm
#168
njzjz
closed
9 months ago
0
Add wf name to config; Better error format
#166
zjgemi
closed
9 months ago
2
support the resubmission of workflows with finetuning
#165
wanghan-iapcm
closed
9 months ago
1
specify machine group to run CI test
#164
zjgemi
closed
11 months ago
1
add explanation for lammps template
#163
wanghan-iapcm
closed
11 months ago
1
support MultiSystem for file configuration
#162
wanghan-iapcm
closed
11 months ago
0
Fix bugs related to the customized lmp task group submission
#161
wanghan-iapcm
closed
11 months ago
1
pin pyright version to 1.1.318
#160
wanghan-iapcm
closed
11 months ago
0
fix the second call of make_task
#159
wanghan-iapcm
closed
11 months ago
1
Provide CHNO example
#158
wanghan-iapcm
closed
12 months ago
1
Implement candidate selection probability style inv_pop_f
#157
wanghan-iapcm
closed
12 months ago
1
Implement customized lmp and plm template task group
#156
wanghan-iapcm
closed
12 months ago
1
update almg example. remove outdated ch4 example
#155
wanghan-iapcm
closed
1 year ago
1
fix pyright errors
#154
zjgemi
closed
1 year ago
2
System.from does not suppot the mixed_type data
#153
Manyi-Yang
opened
1 year ago
0
support finetune on pretrained models
#152
HuangJiameng
closed
1 year ago
3
always pass codecov status
#151
njzjz
closed
1 year ago
1
fix template script that should be loaded to a dict from a json file
#150
wanghan-iapcm
closed
1 year ago
1
fix UT in download
#149
Angel-Jia
closed
1 year ago
1
fix bug in download
#148
Angel-Jia
closed
1 year ago
0
validate traj before conf selection
#147
wanghan-iapcm
closed
1 year ago
1
dp labeling with nopbc data
#146
Angel-Jia
closed
1 year ago
1
Support mixed type for the training data.
#145
wanghan-iapcm
closed
1 year ago
1
Add maximum selection for ExplorationReportTrustLevels
#144
Angel-Jia
closed
1 year ago
1
Add model deviation management for report class
#143
Angel-Jia
closed
1 year ago
1
remove the support of lebesgue
#142
wanghan-iapcm
closed
1 year ago
1
Randomize the conf sampling and the model to run MD
#141
wanghan-iapcm
closed
1 year ago
2
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