- 17 May, 2019 1 commit
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Gao, Xiang authored
Add AdamW optimizer, Add docs of nnp training to train a real ANI-1x model, remove h5py and ignite from dependencies, rename MAEMetric -> MaxAEMetric, use torch.utils.tensorboard to replace tensorboardX (#224)
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- 14 May, 2019 2 commits
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Gao, Xiang authored
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Gao, Xiang authored
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- 10 May, 2019 2 commits
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Gao, Xiang authored
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Gao, Xiang authored
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- 02 May, 2019 1 commit
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Gao, Xiang authored
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- 30 Apr, 2019 1 commit
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Gao, Xiang authored
* implement stress * fix * more * Add analytical stress support
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- 24 Apr, 2019 3 commits
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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- 22 Apr, 2019 4 commits
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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- 11 Apr, 2019 1 commit
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Gao, Xiang authored
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- 09 Apr, 2019 3 commits
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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- 08 Apr, 2019 2 commits
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Gao, Xiang authored
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Gao, Xiang authored
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- 07 Apr, 2019 3 commits
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Kevin Ryan authored
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Gao, Xiang authored
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Gao, Xiang authored
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- 06 Apr, 2019 1 commit
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Gao, Xiang authored
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- 24 Mar, 2019 1 commit
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Gao, Xiang authored
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- 23 Mar, 2019 3 commits
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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- 13 Mar, 2019 1 commit
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Gao, Xiang authored
Fixes: https://github.com/aiqm/torchani/issues/183
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- 07 Mar, 2019 1 commit
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Gao, Xiang authored
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- 04 Mar, 2019 7 commits
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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Gao, Xiang authored
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- 01 Mar, 2019 2 commits
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Gao, Xiang authored
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Gao, Xiang authored
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- 20 Feb, 2019 1 commit
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Gao, Xiang authored
* add ANI model zoo * Update cache_aev.py
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