🔥 PyTorch implementation of GNINA scoring function for molecular docking
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Updated
May 16, 2023 - Python
🔥 PyTorch implementation of GNINA scoring function for molecular docking
Computational Chemistry Workflows
DeltaVina scoring function
Open source code for DyScore
This repository is the implementation of the paper, "Score-balanced Loss for Multi-aspect Pronunciation Assessment" (Interspeech 2023).
Create customized voxel representations of protein-ligand complexes using GPU.
Computational tool to explore the scoring fucntion space
Create scoring functions from simulation data.
Straightforwarding Scoring Suite (3S).
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This repository contains the code and data associated with my minor project in data scienc
Automatically generate urban-like test cases and evaluate the fuel-inefficiency of any driving behaviour.
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