Stars
5
Forks
2
Language
Python
Last Updated
Mar 09, 2024
Similar Repos
| Repo | Language | Stars | Description | Updated At |
|---|---|---|---|---|
| Jupyter Notebook | 30 | RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening | Apr 01, 2022 | |
| Python | 5 | OPUS-CSF: A C-atom-based scoring function for ranking protein structural models | Sep 14, 2020 | |
| Jupyter Notebook | 2 | A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction. | Jun 19, 2022 | |
| C++ | 4 | A set of empirical scoring functions for predicting Receptor-Ligand binding affinities (in pKd units): protein-DNA/RNA, … | Mar 07, 2023 | |
| Python | 4 | Learning Protein-Ligand Affinity with Atomic Environment Vectors | Mar 25, 2022 | |
| Python | 10 | Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction | Mar 22, 2023 | |
| Python | 3 | Predicting Protein – Ligand Interaction by using Deep Learning Models | Jan 28, 2023 | |
| Python | 160 | Interaction Fingerprints for protein-ligand complexes and more | Aug 19, 2022 | |
| Jupyter Notebook | 28 | Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other … | Jan 19, 2023 | |
| Jupyter Notebook | 5 | Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES | Feb 17, 2023 | |
| Python | 42 | Protein-Ligand Benchmark Dataset for Free Energy Calculations | Aug 30, 2022 | |
| Python | 2 | Reinforcment learning and evolutionary strategies applied to protein-ligand docking simulation with Autodock Smina. | Dec 01, 2022 | |
| Scala | 14 | Ranking algorithms for Spark machine learning pipeline | Oct 23, 2022 | |
| Python | 28 | InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions | May 03, 2023 | |
| Python | 2 | scoring/ranking code for tf binding challenge | Aug 14, 2018 | |
| Julia | 24 | Metrics for scoring machine learning models in Julia | May 21, 2022 | |
| Python | 9 | PointNet for Deep Rank: protein-protein interaction scoring using neural networks | Feb 23, 2022 | |
| Python | 2 | Protein Crystal Classification Using Machine Learning | Jan 12, 2023 | |
| Shell | 7 | Prediction of Binding Free Energy of Protein–Ligand Complexes with a Hybrid Molecular Mechanics/Generalized Born Surface … | Feb 01, 2024 | |
| Objective-C | 10 | AI Decisions, Ranking, Scoring & Multivariate Optimization for iOS | Nov 21, 2022 | |
| Python | 13 | AI Decisions, Ranking, Scoring & Multivariate Optimization for Python | Nov 14, 2022 | |
| Python | 15 | Simple-to-use scoring function for arbitrarily tokenized texts. | Sep 29, 2023 | |
| Jupyter Notebook | 41 | Architecture for deploying real-time scoring of machine learning models using Azure Machine Learning | May 30, 2022 | |
| Python | 2 | Apo structures for protein-ligand complexes in PDBbind V. 2019 | Dec 18, 2023 | |
| Python | 4 | College Football Ranking Algorithm Utilizing Machine Learning | Oct 11, 2021 | |
| Python | 14 | A machine learning based protein disorder predictor. | May 08, 2023 | |
| None | 2 | Program for running end point free energy calculations on protein-ligand complexes using AMBER and its … | Jan 05, 2023 | |
| Python | 787 | Standardized data set for machine learning of protein structure | Apr 24, 2023 | |
| None | 21 | Machine learning workflows for analyzing high-throughput protein data | Jun 22, 2022 | |
| Python | 205 | An all-atom protein structure dataset for machine learning. | Oct 08, 2022 | |
| Python | 9 | Deep learning of genomic contexts predicts protein co-regulation and function | May 24, 2023 | |
| Python | 84 | A generic, machine learning-based revision scoring system for MediaWiki | Jul 28, 2022 | |
| None | 2 | Simple MLOps templates for real time or batch scoring workflow using Azure Machine Learning and … | Aug 30, 2023 | |
| None | 7 | Relative free energy calculation data for the Merck protein-ligand set | Jan 18, 2023 | |
| Python | 3 | Repository for protein-ligand benchmark studies using free energy calculation methods | Sep 13, 2023 | |
| None | 16 | A simple yet effective loss function for face verification. | May 06, 2021 | |
| Python | 2 | ProteinTransformer is a toolkit using deep learning for protein function annotation | Mar 14, 2023 | |
| C++ | 2 | Darts machine for automatic scoring | Oct 02, 2021 | |
| Jupyter Notebook | 20 | Do not sleep on traditional machine learning for sleep stage scoring | Apr 04, 2023 | |
| Jupyter Notebook | 2 | PandoraRL defines an RL algorithm for predicting optimal binding pose of a ligand for a … | Jun 21, 2023 | |
| Python | 42 | Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein … | Apr 23, 2023 | |
| Java | 3 | TREND platform for protein function and evolution analysis. | Apr 03, 2022 | |
| Python | 9 | Energy-based Graph Convolutional Networks for Scoring Protein Docking Models | Mar 03, 2023 | |
| Python | 4 | EleKit2 computes the electrostatic complementarity between a docked ligand and its protein receptor | May 02, 2022 | |
| None | 79 | Compendium of available lists of ligand-receptor pairs and surface-secreted protein interactions. | May 19, 2023 | |
| Python | 13 | Code repository for Effective Amazon Machine Learning, published by Packt | May 26, 2022 | |
| Jupyter Notebook | 62 | Credit scoring machine learning algorithm which predicts probability of default | Aug 19, 2022 | |
| Python | 5 | Protein function prediction based on protein-protein interaction network topology and deep maxout neural networks | Apr 10, 2023 | |
| Python | 2 | python package to encode protein using different methods for machine learning | Apr 03, 2023 | |
| Jupyter Notebook | 2 | Latent biases present in ML methods used for protein-ligand interaction prediction tasks | Sep 25, 2023 |