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openkim
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kliff
KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
https://kliff.readthedocs.io
GNU Lesser General Public License v2.1
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Bump actions/setup-python from 5.1.0 to 5.2.0
#190
dependabot[bot]
opened
1 week ago
0
Auto-update pre-commit hooks
#189
github-actions[bot]
opened
4 weeks ago
0
Bump actions/setup-python from 5.1.0 to 5.1.1
#188
dependabot[bot]
closed
1 week ago
1
Examples in KLIFF documentation seem to be broken
#187
yonatank93
opened
1 month ago
0
Moved older descriptor, calculator, loss to legacy + tests fixed
#186
ipcamit
closed
2 months ago
0
Kliff DNN torch trainer
#185
ipcamit
closed
2 months ago
1
Auto-update pre-commit hooks
#184
github-actions[bot]
closed
2 months ago
0
KIM Trainer and tests
#183
ipcamit
closed
2 months ago
1
Kliff master v1 lightning
#182
ipcamit
closed
2 months ago
2
Inquiry Regarding Random Perturbations in Diamond Silicon Experiments
#181
LiMahappy
opened
3 months ago
0
Bump mamba-org/setup-micromamba from 1.8.1 to 1.9.0
#180
dependabot[bot]
closed
2 months ago
0
The Neural Network Potential in Parallel
#179
LiMahappy
opened
3 months ago
2
Trainer framework
#178
ipcamit
closed
2 months ago
4
Extracting and Converting from OUTCAR File to XYZ File
#177
LiMahappy
opened
4 months ago
6
Alternative Error Functions for Loss Calculation
#176
kbushick
opened
5 months ago
1
Bump actions/setup-python from 5.0.0 to 5.1.0
#175
dependabot[bot]
closed
2 months ago
0
ColabFit Changes
#174
EFuem
closed
5 months ago
3
Auto-update pre-commit hooks
#173
github-actions[bot]
closed
2 months ago
0
Design Review 1: KLIFF Trainer framework
#172
ipcamit
closed
4 months ago
9
Remove installing kimpy from conda in CI, it causes problem on macOS
#171
mjwen
closed
6 months ago
0
Fix reading/writing xyz using T/F as PBC
#170
mjwen
closed
6 months ago
0
"T/F" of PBC when reading ".xyz" datasets
#169
hghermes
closed
6 months ago
3
libdescriptor not available for macOS
#168
mjwen
opened
6 months ago
1
Install kimpy from conda in GH actions
#167
mjwen
closed
6 months ago
1
Bump mamba-org/setup-micromamba from 1.8.0 to 1.8.1
#166
dependabot[bot]
closed
6 months ago
0
Add codecov check for test coverage
#165
mjwen
closed
6 months ago
1
Added tests for newer modules
#164
ipcamit
closed
6 months ago
1
Auto-update pre-commit hooks
#163
github-actions[bot]
closed
6 months ago
0
Colabfit enhancments by Eric
#162
ipcamit
closed
7 months ago
2
Order of arguments path and ase_atoms_list was switched in Dataset
#161
marcoscaa
closed
7 months ago
1
Bump peter-evans/create-pull-request from 5 to 6
#160
dependabot[bot]
closed
7 months ago
0
Bump mamba-org/setup-micromamba from 1.7.3 to 1.8.0
#159
dependabot[bot]
closed
7 months ago
0
Auto-update pre-commit hooks
#158
github-actions[bot]
closed
7 months ago
0
Format using black 24.1.0
#157
mjwen
closed
7 months ago
0
Fix tests due to function name changes
#156
mjwen
closed
7 months ago
2
Fix tests due to fn name changes
#155
mjwen
closed
7 months ago
0
Auto-update pre-commit hooks
#154
github-actions[bot]
closed
7 months ago
0
Added complete transform module for graph generation and
#153
ipcamit
closed
7 months ago
9
Bump actions/setup-python from 4.7.1 to 5.0.0
#152
dependabot[bot]
closed
8 months ago
0
Auto-update pre-commit hooks
#151
github-actions[bot]
closed
8 months ago
0
Fix readthedoc docs build
#150
mjwen
closed
8 months ago
0
Simplify installation docs
#149
mjwen
closed
8 months ago
0
Update installation docs for dependencies
#148
mjwen
closed
8 months ago
0
Update conda installation guide
#147
mjwen
closed
8 months ago
0
Deprecate travis build
#146
mjwen
closed
8 months ago
0
Fix GH test with ptemcee
#145
mjwen
closed
8 months ago
0
Fix installing ptemcee
#144
mjwen
closed
8 months ago
0
Update GH actions to use latest conda-forge kim-api and test on macOS
#143
mjwen
closed
8 months ago
0
Auto-update pre-commit hooks
#142
github-actions[bot]
closed
9 months ago
0
Fix bug when we try to set NN parameter with different dtype
#141
yonatank93
closed
9 months ago
6
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