- 11 Nov, 2020 1 commit
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Gao, Xiang authored
* Make CUDA extension TorchScript compatible * save * save * fix * save * save * save * save * Update install_dependencies.sh * trigger ci * save * fix * save * save * save * save * try * fix * revert * save * save * mypy
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- 07 Nov, 2020 1 commit
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Gao, Xiang authored
* Add dummy cuda extension build * save * run tests * save * fix * pytorch cu110 * no vision * save * nl * save * save * save * save * save * save * save * autopep8 * more autopep8 * optional=True * no todo * fix * refactor ci * mypy * save * flake8 * os error * Run cuaev test * save * clang format * Delete delete-me.cu * Search for cub in pytorch include paths * nl * instructions on test * Add better handle cuaev install/not install * test_cuaev.py * clean * fix Co-authored-by:Farhad Ramezanghorbani <farhadrgh@users.noreply.github.com>
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- 20 Jul, 2020 1 commit
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Farhad Ramezanghorbani authored
* skip downloading into site-packages * add placeholder files * add placeholder files * dont check filesize in local_dir * fix shutil erro * use distutils instead of shutils
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- 17 Jun, 2020 1 commit
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Ignacio Pickering authored
* cleanup after test_vibrational to avoid .pckl files everywhere * only dump test_neurochem's runs into torchani/tests * avoid runs inside tests/ * Add coverage to gitignore * consts is unnecessary here
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- 10 Jun, 2020 1 commit
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Farhad Ramezanghorbani authored
* download resources from ASE_ANI * update gitignore * get resources with request * fix flke8 * rm svn checkout for resources * update * fix flake8
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- 22 Mar, 2020 1 commit
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Gao, Xiang authored
* Improve new dataset API * Improve more on new dataset API * fix * fix reentrance * Allow all intermediate state of transformation to be reentered * Add length inference * fix * split by ratio * add dataloader example * add test for data loader
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- 21 Mar, 2020 1 commit
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Gao, Xiang authored
* Remove everything about chunking * aev.py * neurochem trainer * training-benchmark-nsys-profile.py * fix eval * training-benchmark.py * nnp_training.py * flake8 * nnp_training_force.py * fix dtype of species * fix * flake8 * requires_grad_ * git ignore * fix * original * fix * fix * fix * fix * save * save * save * save * save * save * save * save * save * collate * fix * save * fix * save * save * fix * save * fix * fix * no len * float * save * save * save * save * save * save * save * save * save * fix * save * save * save * save * fix * fix * fix * fix mypy * don't remove outliers * save * save * save * fix * flake8 * save * fix * flake8 * docs * more docs * fix test_data * remove test_data_new * fix
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- 28 Jan, 2020 1 commit
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Gao, Xiang authored
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- 13 Aug, 2019 1 commit
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Gao, Xiang authored
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- 14 Jun, 2019 1 commit
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Ignacio Pickering authored
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- 10 May, 2019 1 commit
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Gao, Xiang authored
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- 26 Sep, 2018 1 commit
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Xiang Gao 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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- 26 Aug, 2018 1 commit
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Gao, Xiang authored
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- 02 Aug, 2018 1 commit
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Gao, Xiang authored
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- 31 Jul, 2018 1 commit
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Gao, Xiang authored
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- 20 Jul, 2018 1 commit
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Xiang Gao authored
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