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DeepBioisostere
DeepBioisostere PublicDeep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties
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attention-is-all-you-need-pytorch
attention-is-all-you-need-pytorch PublicForked from jadore801120/attention-is-all-you-need-pytorch
A PyTorch implementation of the Transformer model in "Attention is All You Need".
Python 1
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MolGAN-pytorch
MolGAN-pytorch PublicForked from yongqyu/MolGAN-pytorch
Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)
Python
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graph-neural-networks
graph-neural-networks PublicForked from ifding/graph-neural-networks
Graph Neural Networks for Quantum Chemistry
Python
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