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Merge pull request #67 from chemle/feature_cell Build and test #354: Commit 31f2b56 pushed by lohedges
11s devel
devel
11s
Correctly index cell vector for current batch item. Build and test #353: Commit 976c4f8 pushed by lohedges
3m 47s feature_cell
feature_cell
3m 47s
Use the cell kwarg if not None. Build and test #352: Commit 0bd145e pushed by lohedges
3m 51s feature_cell
feature_cell
3m 51s
Add SQM xfail. Build and test #351: Commit 8cc0075 pushed by lohedges
3m 52s feature_cell
feature_cell
3m 52s
Add support for passing cell kwarg to EMLE forward method. Build and test #350: Commit c7f4e3c pushed by lohedges
3m 40s feature_cell
feature_cell
3m 40s
Merge pull request #66 from JMorado/feature_train_alpha_atomic Build and test #349: Commit 0897d1f pushed by lohedges
3m 43s devel
devel
3m 43s
Merge pull request #64 from kzinovjev/emle-analyze-without-orca Build and test #348: Commit 45623d4 pushed by lohedges
4m 8s main
main
4m 8s
Implement analysis without ORCA tarball (only model predictions) Build and test #347: Pull request #64 opened by kzinovjev
3m 59s kzinovjev:emle-analyze-without-orca
kzinovjev:emle-analyze-without-orca
3m 59s
Merge pull request #62 from chemle/fix_61 Build and test #346: Commit 80486ac pushed by lohedges
4m 27s main
main
4m 27s
Fix issue #61 Build and test #345: Pull request #62 opened by lohedges
4m 14s fix_61
fix_61
4m 14s
Allow loading of MACE state dict with missing keys. [closes #61] Build and test #344: Commit 010a2ff pushed by lohedges
4m 24s fix_61
fix_61
4m 24s
Add model training with mini-batches Build and test #343: Pull request #59 synchronize by JMorado
4m 5s JMorado:feature_batching
JMorado:feature_batching
4m 5s
Add Lennard-Jones implementation and training of dispersion coefficients Build and test #342: Pull request #60 opened by JMorado
3m 47s JMorado:feature_lj
JMorado:feature_lj
3m 47s
Add model training with mini-batches Build and test #341: Pull request #59 synchronize by JMorado
4m 24s JMorado:feature_batching
JMorado:feature_batching
4m 24s
Add model training with mini-batches Build and test #340: Pull request #59 synchronize by JMorado
4m 26s JMorado:feature_batching
JMorado:feature_batching
4m 26s
Add model training with mini-batches Build and test #339: Pull request #59 synchronize by JMorado
4m 10s JMorado:feature_batching
JMorado:feature_batching
4m 10s
Add model training with mini-batches Build and test #338: Pull request #59 synchronize by JMorado
4m 20s JMorado:feature_batching
JMorado:feature_batching
4m 20s
Add model training with mini-batches Build and test #337: Pull request #59 synchronize by JMorado
4m 10s JMorado:feature_batching
JMorado:feature_batching
4m 10s
pages build and deployment pages-build-deployment #17: by lohedges
24s gh-pages
gh-pages
24s
Merge pull request #54 from kzinovjev/query-by-committee Build and test #336: Commit fe951c2 pushed by lohedges
4m 12s main
main
4m 12s
Add model training with mini-batches Build and test #335: Pull request #59 opened by JMorado
4m 12s JMorado:feature_batching
JMorado:feature_batching
4m 12s
Merge pull request #58 from chemle/feature_openmm_xyz Build and test #334: Commit 89789f9 pushed by lohedges
9s main
main
9s
Add support for writing QM and PC xyz file to OpenMM interface Build and test #333: Pull request #58 opened by lohedges
10s feature_openmm_xyz
feature_openmm_xyz
10s
Add support for writing QM and PC xyz file to OpenMM interface. Build and test #332: Commit cf30fe4 pushed by lohedges
4m 5s feature_openmm_xyz
feature_openmm_xyz
4m 5s
Query-by-Committee proof of concept Build and test #331: Pull request #54 synchronize by kzinovjev
4m 15s kzinovjev:query-by-committee
kzinovjev:query-by-committee
4m 15s