Learning protein representation for rigid-body docking
☆22Nov 2, 2019Updated 6 years ago
Alternatives and similar repositories for DeepLocalProteinDocking
Users that are interested in DeepLocalProteinDocking are comparing it to the libraries listed below
Sorting:
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Apr 28, 2021Updated 4 years ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Jun 25, 2022Updated 3 years ago
- ProQDock is a Protein-Protein docking scoring program that uses high level coordinate driven features compiled and trained by a Support V …☆11Dec 11, 2021Updated 4 years ago
- Protein-Protein Docking using Genetic Algorithm☆20Feb 8, 2026Updated 3 weeks ago
- Structural space exploration of AlphaFold DB☆12Oct 8, 2021Updated 4 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- Energy-based Graph Convolutional Networks for Scoring Protein Docking Models☆12Aug 31, 2021Updated 4 years ago
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆35Feb 23, 2021Updated 5 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Nov 17, 2022Updated 3 years ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Jul 5, 2025Updated 7 months ago
- A Deep-learning based dOcking decoy eValuation mEthod☆57May 12, 2023Updated 2 years ago
- AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.☆20Apr 5, 2024Updated last year
- ☆20Jun 10, 2024Updated last year
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 4 years ago
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Jan 18, 2019Updated 7 years ago
- Python wrapper to design RNA molecules using RNAblueprint, RNARedPrint and for energy evaluations ViennaRNA, Hotknots, pKiss and Nupack.☆21Sep 17, 2018Updated 7 years ago
- Python interface for the RCSB search API.☆20Mar 20, 2024Updated last year
- Code for "Protein Docking Model Evaluation by Graph Neural Networks"☆59May 12, 2023Updated 2 years ago
- E(3) equivariant graph neural network for PPI site prediction☆10Sep 18, 2023Updated 2 years ago
- ☆10Dec 4, 2021Updated 4 years ago
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Feb 20, 2026Updated last week
- ResPRE is an algorithm for protein residue-residue contact-map prediction☆21May 20, 2019Updated 6 years ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆27Nov 27, 2025Updated 3 months ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Sep 11, 2022Updated 3 years ago
- ☆11Apr 25, 2021Updated 4 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Oct 16, 2018Updated 7 years ago
- protein docking stuff☆52Sep 2, 2024Updated last year
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆30May 29, 2021Updated 4 years ago
- Conditional Variational Autoencoder for the prediction of site-specific recombinases selective for a specified target site☆12Jun 23, 2023Updated 2 years ago
- A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed b…☆10Nov 22, 2016Updated 9 years ago
- Target prediction☆13May 8, 2020Updated 5 years ago
- Protein common interface databases☆10Apr 13, 2019Updated 6 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- Demos of many Rosetta applications☆22Jun 10, 2025Updated 8 months ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- Semantic Segmentor for Protein Structures.☆11Dec 20, 2021Updated 4 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆45Aug 30, 2020Updated 5 years ago