🔥 PyTorch implementation of GNINA scoring function for molecular docking
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Apr 21, 2026 - Python
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scoring-functions
Here are 12 public repositories matching this topic...
Computational Chemistry Workflows
middleware workflow computational-chemistry docking computational-science scoring-functions mmgbsa mmpbsa
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Jul 19, 2022 - Python
DeltaVina scoring function
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Apr 7, 2017 - Python
This repository is the implementation of the paper, "Score-balanced Loss for Multi-aspect Pronunciation Assessment" (Interspeech 2023).
nlp apa language-learning pronunciation assessment loss-functions scoring-functions interspeech pronunciation-scoring balanced-loss interspeech2023 score-balanced-loss automatic-pronunciation-assessment
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Apr 29, 2024 - Python
Open source code for DyScore
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Jan 9, 2023 - Python
Generate customized voxel representations of protein-ligand complexes using GPU.
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Sep 8, 2025 - Python
CNN-based protein-ligand scoring function.
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Mar 7, 2026 - Python
Create scoring functions from simulation data.
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Jun 22, 2022 - Python
REINDEER: Protein-Ligand Feature Generator Software
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May 22, 2026 - Python
Straightforwarding Scoring Suite (3S).
machine-learning gui bioinformatics computational-chemistry docking scoring-functions streamlit-webapp
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Aug 27, 2023 - Python
This repository contains the code and data associated with my minor project in data scienc
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Apr 30, 2023 - Python
Automatically generate urban-like test cases and evaluate the fuel-inefficiency of any driving behaviour.
python test-suite testing-tools autonomous-driving autonomous-vehicles beamng test-oracles scoring-functions test-case-generation fuel-efficiency
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Apr 3, 2024 - Python
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