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Search results for gpu chemistry
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7 search results found
Cando
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140
Cando chemistry language
Quick
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118
QUICK: A GPU-enabled ab intio quantum chemistry software package
Fpsim2
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89
Simple package for fast molecular similarity searches
Gpusimilarity
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85
A Cuda/Thrust implementation of fingerprint similarity searching
Bayesgrad
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48
BayesGrad: Explaining Predictions of Graph Convolutional Networks
Moldqn Pytorch
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40
A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
Quick
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9
QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK
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1-7 of 7 search results
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