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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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Add HDF5 support for trajs and model_devis
#259
zjgemi
opened
2 days ago
4
Support electronic temperature
#258
zjgemi
closed
1 day ago
3
Support valid data for multitask training
#257
zjgemi
closed
2 days ago
2
support extra FP outputs; add post_command for Gaussian
#256
zjgemi
closed
1 week ago
2
fix: support electron temperature in lammps npt task group
#255
wanghan-iapcm
closed
1 week ago
2
Support keywords of pair_style for LmpTemplateTaskGroup
#254
zjgemi
closed
1 week ago
3
Fix: calling functions for the default value of argument.
#253
wanghan-iapcm
closed
2 weeks ago
2
Bump docker/build-push-action from 6.6.1 to 6.7.0
#252
dependabot[bot]
closed
2 weeks ago
1
Add DiffCSP as a new exploration engine
#251
zjgemi
closed
2 weeks ago
3
add distance conf filter
#250
zjgemi
closed
2 weeks ago
2
Bump docker/build-push-action from 6.5.0 to 6.6.1
#249
dependabot[bot]
closed
3 weeks ago
1
Add docs of "Implement a new exploration engine for dpgen2"
#248
zjgemi
closed
3 weeks ago
2
Refactor finetune
#247
zjgemi
closed
1 month ago
2
Bump docker/login-action from 3.2.0 to 3.3.0
#246
dependabot[bot]
closed
1 month ago
0
Bump docker/build-push-action from 6.4.0 to 6.5.0
#245
dependabot[bot]
closed
1 month ago
0
docs: pin sphinx-argparse to < 0.5.0
#244
njzjz-bot
closed
1 month ago
2
Bump docker/build-push-action from 6.3.0 to 6.4.0
#243
dependabot[bot]
closed
1 month ago
0
Bump docker/build-push-action from 6.2.0 to 6.3.0
#242
dependabot[bot]
closed
1 month ago
0
fix: remove ref-names from .git_archival.txt
#241
njzjz-bot
closed
1 month ago
2
Rename check_examples.py to test_check_examples.py and add existing example JSON files
#240
njzjz
closed
2 months ago
5
Bump docker/build-push-action from 6.1.0 to 6.2.0
#239
dependabot[bot]
closed
2 months ago
0
CP2K support for dpgen2
#238
Andy6M
closed
2 months ago
3
Bump docker/build-push-action from 6.0.0 to 6.1.0
#237
dependabot[bot]
closed
2 months ago
0
Add train optional files
#236
zjgemi
closed
2 months ago
2
可否提供dpgen2 slurm调用示例
#235
Tengfei9228
closed
2 months ago
1
Bump docker/build-push-action from 5.4.0 to 6.0.0
#234
dependabot[bot]
closed
2 months ago
0
Add train args
#233
zjgemi
closed
2 months ago
2
fix: type hint for the input of replicate
#232
wanghan-iapcm
closed
2 months ago
2
Bump docker/build-push-action from 5.3.0 to 5.4.0
#231
dependabot[bot]
closed
2 months ago
2
dpgen2 如何使用slurm调度 进行流程作业提交
#230
Tengfei9228
closed
3 months ago
1
Bump docker/login-action from 3.1.0 to 3.2.0
#229
dependabot[bot]
closed
3 months ago
0
fix missing key of merged caly-evo-step
#228
zjgemi
closed
3 months ago
2
support specifying URI of init_data, multi_init_data, valid_data, init_model
#227
zjgemi
closed
3 months ago
2
fix: continue_on_num_success/continue_on_success_ratio key error
#226
wangzyphysics
closed
3 months ago
2
Fix caly evo step slice
#225
wangzyphysics
closed
3 months ago
3
feat: merged mode for caly evo step
#224
wangzyphysics
closed
3 months ago
2
dpgen2如何直接使用slurm构建input.json
#223
Tengfei9228
closed
3 months ago
1
add parallelism for workflow
#222
zjgemi
closed
3 months ago
2
Fix init_model_old_ratio for multitask
#221
zjgemi
closed
3 months ago
2
set input.json/train/numb_models = 1 may cause path errors
#220
BI1FOF
closed
2 months ago
1
remove `set_prefix`
#219
njzjz
closed
4 months ago
2
Fix dpdata format of abacus
#218
zjgemi
closed
4 months ago
2
Calypso speedup by refactorizing model deviation.
#217
wangzyphysics
closed
4 months ago
2
Request for new features: stage-specific parameters for explore and fp, finetune/iter-initial-modle distinguishing training parameters
#216
Vibsteamer
opened
4 months ago
1
Fix download and watch for prep-run-explore
#215
zjgemi
closed
4 months ago
1
Change template_script to big parameter
#214
zjgemi
closed
4 months ago
1
feat(build): Add Git archives version files
#213
njzjz-bot
closed
4 months ago
1
CI: Mirror the repository to Gitee
#212
njzjz-bot
closed
4 months ago
1
refact make train command
#211
wanghan-iapcm
closed
4 months ago
1
[BUG] Using DPGEN2 combines DPA2 model and first-princeple calculation(VASP) to label the alloy data, iteration 0 is normal, but iteration 1 is abnormal
#210
Jeremy1189
closed
2 months ago
4
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