berylgithub/ppbap

Protein-protein interaction Binding Affinity Prediction

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miladrayka/reindeer_software

REINDEER: Protein-Ligand Feature Generator Software

Language: Python - Size: 9.59 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 1 - Forks: 0

RMeli/gnina-torch

🔥 PyTorch implementation of GNINA scoring function for molecular docking

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Adam-maz/Virtual_Screening

Within this repository I present scripts that can be helpful during virtual screening in drug design & development.

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gmmsb-lncc/docktgrid

Generate customized voxel representations of protein-ligand complexes using GPU.

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doheejin/SB_loss_PA

This repository is the implementation of the paper, "Score-balanced Loss for Multi-aspect Pronunciation Assessment" (Interspeech 2023).

Language: Python - Size: 482 KB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 13 - Forks: 1

masskro0/Urban-Test-Generator-Fuel-Scoring-Function

Automatically generate urban-like test cases and evaluate the fuel-inefficiency of any driving behaviour.

Language: Python - Size: 2.28 GB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0

azevedolab/SFSXplorer

Computational tool to explore the scoring fucntion space

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chengwang88/deltavina

DeltaVina scoring function

Language: Python - Size: 56.7 MB - Last synced at: over 1 year ago - Pushed at: about 8 years ago - Stars: 37 - Forks: 18

YanjunLi-CS/dyscore

Open source code for DyScore

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miladrayka/3s_application

Straightforwarding Scoring Suite (3S).

Language: Python - Size: 25.3 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 1

IFMlab/ChemFlow

Computational Chemistry Workflows

Language: Python - Size: 243 MB - Last synced at: almost 2 years ago - Pushed at: almost 3 years ago - Stars: 44 - Forks: 3

ira-zibbu/Minor-Project-2013-ML-Scoring-Functions

This repository contains the code and data associated with my minor project in data scienc

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miladrayka/protein_ligand_papers

An (almost) ultimate collection of protein-ligand machine learning based scoring function papers.

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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.

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compomics/spectrum_similarity

Scoring functions to compare MS/MS spectra

Language: Java - Size: 271 KB - Last synced at: about 1 year ago - Pushed at: about 8 years ago - Stars: 10 - Forks: 7

AlexisMolinaMR/PeleAI

Create scoring functions from simulation data.

Language: Python - Size: 8.18 MB - Last synced at: about 2 years ago - Pushed at: almost 3 years ago - Stars: 2 - Forks: 0

Gopal-Dahale/Automatic-Playlist-creation

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