scoring-functions
There are 16 repositories under scoring-functions topic.
RMeli/gnina-torch
🔥 PyTorch implementation of GNINA scoring function for molecular docking
IFMlab/ChemFlow
Computational Chemistry Workflows
chengwang88/deltavina
DeltaVina scoring function
YanjunLi-CS/dyscore
Open source code for DyScore
doheejin/SB_loss_PA
This repository is the implementation of the paper, "Score-balanced Loss for Multi-aspect Pronunciation Assessment" (Interspeech 2023).
compomics/spectrum_similarity
Scoring functions to compare MS/MS spectra
gmmsb-lncc/docktgrid
Create customized voxel representations of protein-ligand complexes using GPU.
berylgithub/ppbap
Protein-protein interaction Binding Affinity Prediction
azevedolab/SFSXplorer
Computational tool to explore the scoring fucntion space
AlexisMolinaMR/PeleAI
Create scoring functions from simulation data.
miladrayka/convolutional_neural_networks
Required files for repeating "Investigating the impact of convolutional neural networks through distance-weighted atomic contact features on binding affinity prediction" paper.
ira-zibbu/Minor-Project-2013-ML-Scoring-Functions
This repository contains the code and data associated with my minor project in data scienc
masskro0/Urban-Test-Generator-Fuel-Scoring-Function
Automatically generate urban-like test cases and evaluate the fuel-inefficiency of any driving behaviour.
miladrayka/3s_application
Straightforwarding Scoring Suite (3S).
miladrayka/reindeer_software
REINDEER: Protein-Ligand Feature Generator Software