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OpenDAS
torchani
Commits
ba02a6742cb56919b09f80e058e197b27a72a0af
Switch branch/tag
torchani
tools
generate-unit-test-expect
neurochem_calculator.py
24 Apr, 2019
1 commit
Add Benzene and Tripeptide MD trajectory to unit test (#213)
· ba02a674
Gao, Xiang
authored
Apr 23, 2019
ba02a674
12 Dec, 2018
2 commits
Test on structural optimization (#153)
· 7a3961ea
Gao, Xiang
authored
Dec 12, 2018
7a3961ea
Add 3D structures downloaded from NIST to unit test set (#146)
· 2cc64cb7
Gao, Xiang
authored
Dec 12, 2018
2cc64cb7
