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ulissigroup
/
finetuna
Active Learning for Machine Learning Potentials
MIT License
45
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11
forks
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Update trainer
#60
LoryWangxx
opened
8 months ago
0
Multiple problems when running CPU version
#59
AnotherGitUser1
opened
9 months ago
0
There is a training process and GPU memory usage, but the GPU is not working.
#58
yinkaaiwu
opened
1 year ago
2
Update README.md
#57
LoryWangxx
closed
1 year ago
0
vaspinterative not found mpi process
#56
YukeLi-chem
closed
1 year ago
2
Update actions/checkout action to v4
#55
renovate[bot]
opened
1 year ago
0
Importing FinetunerCalc leads to Segmentation Fault
#54
rossfu7
closed
1 year ago
1
_message.cpython-39-x86_64-linux-gnu.so: undefined symbol: _ZN6google8protobuf2io17SafeDoubleToFloatEd
#53
yanzhangzh
opened
1 year ago
1
energy calculated by mlp vs quantum espresso has a huge difference
#52
tshrkg
closed
1 year ago
2
Add example script to run Finetuna with Quantum Espresso
#51
12Chao
closed
2 years ago
2
A case where finetuna fails to reach a reasonable minimum
#50
gauthierlab
closed
2 years ago
5
VaspInteractive vs Vasp calculator
#49
gauthierlab
closed
2 years ago
5
Add cloned finetunercalc
#48
jmusiel
closed
2 years ago
0
Refactor bloat
#47
jmusiel
closed
2 years ago
0
Finetuna crashes after the first DFT calculation
#46
bjkreitz
opened
2 years ago
7
Finetuner chkpt only
#45
jmusiel
closed
2 years ago
0
Neb dev
#44
jmusiel
closed
2 years ago
0
Update circleci/python Docker tag to v3.10
#43
renovate[bot]
opened
2 years ago
0
fix tags for gemnet_oc by adding a2g_convert function to finetuner_ca…
#42
zulissi
closed
2 years ago
0
Env dev
#41
LoryWangxx
closed
2 years ago
0
Joe dev
#40
jmusiel
closed
2 years ago
0
OCP descriptor pca
#39
jmusiel
closed
2 years ago
0
update oal example for gpu usage
#38
alchem0x2A
opened
2 years ago
0
Update unittests.yml
#37
myoung34
closed
2 years ago
1
update oal example for gpu usage
#36
alchem0x2A
closed
2 years ago
1
Tt vasp inter patch
#35
jmusiel
closed
2 years ago
0
Need to merge optimal vaspinteractive settings to main
#34
alchem0x2A
closed
2 years ago
2
Finetuna refactor
#33
jmusiel
closed
2 years ago
0
Update actions/checkout action to v3
#32
renovate[bot]
closed
2 years ago
1
Question VASP_interactive example
#31
Alexyjones
closed
2 years ago
8
Debase offline learner
#30
jmusiel
closed
2 years ago
0
Ocp finetune
#29
jmusiel
closed
2 years ago
0
OCP finetune
#28
jmusiel
closed
2 years ago
0
Flare ocp descriptor
#27
jmusiel
closed
3 years ago
0
Replay methods
#26
jmusiel
closed
3 years ago
0
Pca live
#25
jmusiel
closed
3 years ago
1
Delta refactor
#24
jmusiel
closed
3 years ago
0
Add main formatting
#23
jmusiel
closed
3 years ago
0
Add main
#22
jmusiel
closed
3 years ago
0
Dependency Dashboard
#21
renovate[bot]
opened
3 years ago
0
Mongo upgrade
#20
jmusiel
closed
3 years ago
0
Update pre-commit hook pre-commit/pre-commit-hooks to v4 - autoclosed
#19
renovate[bot]
closed
3 years ago
0
Action Required: Fix Renovate Configuration
#18
renovate[bot]
closed
3 years ago
0
Update precommit hook pre-commit/pre-commit-hooks to v3 - autoclosed
#17
renovate[bot]
closed
3 years ago
0
Update pre-commit hook pre-commit/pre-commit-hooks to v2.5.0 - autoclosed
#16
renovate[bot]
closed
3 years ago
0
Update dependency circleci/python to v3.10
#15
renovate[bot]
closed
2 years ago
1
Configure Renovate
#14
renovate[bot]
closed
3 years ago
0
Ensemble refactor
#13
zulissi
closed
3 years ago
0
QE colab calculator does not work as intended
#12
saurabhsivakumar
closed
2 years ago
0
incorporate offline tests into online_simplify
#11
zulissi
closed
3 years ago
0
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