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University College London, SoP
- Shanghai, China
- @Tokelauislands
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deepFMPOv3D
deepFMPOv3D PublicForked from giovanni-bolcato/deepFMPOv3D
Implementation of Shape and Electrostatic similarity metric in deepFMPO.
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TIES_MD
TIES_MD PublicForked from UCL-CCS/TIES_MD
Python package built on OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.
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InteractionGraphNet
InteractionGraphNet PublicForked from zjujdj/InteractionGraphNet
InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Prediction and Large-scale Structure-based Virtual Screening
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GENTRL
GENTRL PublicForked from Bibyutatsu/GENTRL
Generative Tensorial Reinforcement Learning (GENTRL) model
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liGAN
liGAN PublicForked from mattragoza/LiGAN
Deep generative models of 3D grids for structure-based drug discovery
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KinFragLib
KinFragLib PublicForked from volkamerlab/KinFragLib
Kinase-focused fragment library
Jupyter Notebook
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