- 23 Nov, 2019 1 commit
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Gao, Xiang authored
* Improvements on docs * Add tips
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- 06 Nov, 2019 1 commit
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Gao, Xiang authored
* Remove AEV cacher * more * more * more * flake8 * further cleanup
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- 05 Nov, 2019 1 commit
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Gao, Xiang authored
* Remove ignite * remove neurochem-test * remove cache-aev
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- 22 Aug, 2019 1 commit
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Richard Xue authored
* split * clean * docs * docs * Update new.py
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- 20 Aug, 2019 1 commit
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Richard Xue authored
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- 31 Jul, 2019 1 commit
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Ignacio Pickering authored
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- 26 May, 2019 1 commit
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Gao, Xiang authored
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- 25 May, 2019 1 commit
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Gao, Xiang authored
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- 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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- 10 May, 2019 1 commit
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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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- 20 Feb, 2019 1 commit
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Gao, Xiang authored
* add ANI model zoo * Update cache_aev.py
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- 02 Jan, 2019 1 commit
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Gao, Xiang authored
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- 27 Oct, 2018 2 commits
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Gao, Xiang authored
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Gao, Xiang authored
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- 06 Sep, 2018 2 commits
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Gao, Xiang authored
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Gao, Xiang authored
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- 04 Sep, 2018 1 commit
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Gao, Xiang authored
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- 02 Sep, 2018 1 commit
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Gao, Xiang authored
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- 31 Aug, 2018 1 commit
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Gao, Xiang authored
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- 30 Aug, 2018 1 commit
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Gao, Xiang authored
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- 26 Aug, 2018 1 commit
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Gao, Xiang authored
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- 25 Aug, 2018 1 commit
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Gao, Xiang authored
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