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Add total charge and spin to property definitions Test #413: Commit 5cf14f9 pushed by vsimkus
6m 16s add-total-charge-and-spin-to-property-definitions
add-total-charge-and-spin-to-property-definitions
6m 16s
Enhanced finetune.py with custom loss weights and reference energies Test #412: Pull request #133 opened by timduignan
6m 26s timduignan:custom-loss-weights-and-reference-energies-clean
timduignan:custom-loss-weights-and-reference-energies-clean
6m 26s
Highlight in MODELS.md that OrbMol models are for non-periodic systems only Test #411: Pull request #126 synchronize by timduignan
6m 6s models-md-tweak
models-md-tweak
6m 6s
Update MODELS.md Test #410: Commit 316ae60 pushed by timduignan
5m 39s models-md-tweak
models-md-tweak
5m 39s
Use pypi instead of nvidia repo for cuml (#129) Test #409: Commit 5a6ba14 pushed by timduignan
6m 20s main
main
6m 20s
A flag for finetuning of reference energies Test #408: Pull request #132 opened by vsimkus
5m 56s finetune-ref-energies
finetune-ref-energies
5m 56s
Added a flag that allows finetuning of reference energies Test #407: Commit 04c61e1 pushed by vsimkus
6m 1s finetune-ref-energies
finetune-ref-energies
6m 1s
Added a flag that allows finetuning of reference energies Test #406: Commit ab78744 pushed by vsimkus
8m 31s finetune-ref-energies
finetune-ref-energies
8m 31s
Use pypi instead of nvidia repo for cuml Test #405: Pull request #129 opened by vsimkus
5m 53s use-pypi-for-cuml
use-pypi-for-cuml
5m 53s
Use pypi instead of nvidia repo for cuml Test #404: Commit 3b35007 pushed by vsimkus
7m 6s use-pypi-for-cuml
use-pypi-for-cuml
7m 6s
Highlight in MODELS.md that OrbMol models are for non-periodic systems only Test #403: Pull request #126 opened by vsimkus
5m 51s models-md-tweak
models-md-tweak
5m 51s
Highlight in MODELS.md that OrbMol models are for non-periodic system… Test #402: Commit a810124 pushed by vsimkus
5m 27s models-md-tweak
models-md-tweak
5m 27s
Orbmol fixes clean (#122) Test #401: Commit 4c3bbdd pushed by benrhodes26
5m 24s main
main
5m 24s
Orbmol fixes clean Test #400: Pull request #122 synchronize by timduignan
5m 19s timduignan:orbmol-fixes-clean
timduignan:orbmol-fixes-clean
5m 19s
use proper defaults (#121) Test #399: Commit e37cdb2 pushed by timduignan
5m 18s main
main
5m 18s
Orbmol fixes clean Test #398: Pull request #122 opened by timduignan
5m 53s timduignan:orbmol-fixes-clean
timduignan:orbmol-fixes-clean
5m 53s
Use sensible defaults for charge and spin in readme Test #397: Pull request #121 opened by benrhodes26
10m 22s fix-charge-readme
fix-charge-readme
10m 22s
use proper defaults Test #396: Commit 0081456 pushed by benrhodes26
10m 22s fix-charge-readme
fix-charge-readme
10m 22s
0.5.5 Publish Python Package #22: Release v0.5.5 created by benrhodes26
11m 44s
11m 44s
Omol models (#120) Test #395: Commit 8de9a81 pushed by benrhodes26
5m 11s v0.5.5
v0.5.5
5m 11s
Omol models (#120) Test #394: Commit 8de9a81 pushed by benrhodes26
5m 16s main
main
5m 16s
Omol models Test #393: Pull request #120 synchronize by benrhodes26
5m 20s charge-spin-conditioning
charge-spin-conditioning
5m 20s
Address comments Test #392: Commit 01afcc0 pushed by benrhodes26
5m 14s charge-spin-conditioning
charge-spin-conditioning
5m 14s
Omol models Test #391: Pull request #120 synchronize by benrhodes26
5m 11s charge-spin-conditioning
charge-spin-conditioning
5m 11s
Address comments Test #390: Commit 4c9f69e pushed by benrhodes26
5m 21s charge-spin-conditioning
charge-spin-conditioning
5m 21s