🔥 PyTorch implementation of GNINA scoring function for molecular docking
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Oct 10, 2024 - Python
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scoring-functions
Here are 16 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
Open source code for DyScore
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Jan 9, 2023 - 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
Scoring functions to compare MS/MS spectra
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Feb 22, 2017 - Java
Generate customized voxel representations of protein-ligand complexes using GPU.
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May 7, 2024 - Python
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Oct 28, 2021 - Jupyter Notebook
Protein-protein interaction Binding Affinity Prediction
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Mar 19, 2020 - Jupyter Notebook
Computational tool to explore the scoring fucntion space
python
machine-learning
scikit-learn
protein-structure
protein
docking
scoring-functions
protein-drug-interactions
scoring-function-space
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Jan 30, 2024 - Python
Create scoring functions from simulation data.
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Jun 22, 2022 - Python
Required files for repeating "Investigating the impact of convolutional neural networks through distance-weighted atomic contact features on binding affinity prediction" paper.
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Mar 2, 2023 - Jupyter Notebook
Straightforwarding Scoring Suite (3S).
machine-learning
gui
bioinformatics
computational-chemistry
docking
scoring-functions
streamlit-webapp
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Aug 27, 2023 - Python
REINDEER: Protein-Ligand Feature Generator Software
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Apr 13, 2024 - 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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