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OpenDAS
torchani
Commits
3cced1e689d447c5411b2c459f97c3278b211c9c
Switch branch/tag
torchani
torchani
neurochem.py
23 Aug, 2018
1 commit
Improve training related API (#76)
· 3cced1e6
Gao, Xiang
authored
Aug 23, 2018
3cced1e6
22 Aug, 2018
3 commits
Remove energy shifter's dependency on atomic symbols (#75)
· d7ef8182
Gao, Xiang
authored
Aug 22, 2018
d7ef8182
simplify handling of species to avoid unnecessary arguments (#74)
· eb090700
Gao, Xiang
authored
Aug 22, 2018
eb090700
Some API improvements (#73)
· ce21d224
Gao, Xiang
authored
Aug 21, 2018
ce21d224
21 Aug, 2018
1 commit
Refactor codes to put neurochem related codes together (#72)
· f146feca
Gao, Xiang
authored
Aug 21, 2018
f146feca
