🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data.
☆11Oct 16, 2018Updated 7 years ago
Alternatives and similar repositories for fit3d
Users that are interested in fit3d are comparing it to the libraries listed below
Sorting:
- SiNGA (Simulation of Natural Systems using Graph Automata) is an open-source library containing tools especially for structural bioinfor…☆11Aug 26, 2025Updated 6 months ago
- Web application for protein-ligand binding sites analysis and visualization☆16Jan 9, 2023Updated 3 years ago
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆19Jul 18, 2025Updated 7 months ago
- ☆20Jun 10, 2024Updated last year
- Python interface for the RCSB search API.☆20Mar 20, 2024Updated last year
- 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-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆27Nov 27, 2025Updated 3 months ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28May 16, 2021Updated 4 years ago
- A deep learning model to predict anticancer peptides.☆24Jul 10, 2019Updated 6 years ago
- A web based application predicts water solubility of any given chemical compound known or unknown☆14Jul 4, 2021Updated 4 years ago
- The javascript implementation of the MMTF format.☆11Jun 26, 2017Updated 8 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
- Automatic prototype based drug generation☆13Feb 13, 2018Updated 8 years ago
- A Bio2BEL package for DrugBank (https://www.drugbank.ca)☆10Dec 14, 2020Updated 5 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 5 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- An end-to-end linear-time algorithm for structural alignment and conserved structure prediction of RNA homologs☆13Jun 28, 2024Updated last year
- MHC-II presentation predictor☆13Aug 11, 2023Updated 2 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Apr 28, 2021Updated 4 years ago
- The java implementation of the MMTF API, decoder and encoder.☆11Dec 19, 2025Updated 2 months ago
- Analysis and design of protein-protein or protein-peptide interactions based on atlas database.☆15Sep 27, 2022Updated 3 years ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- ☆12Jun 3, 2019Updated 6 years ago
- Predicting Protein – Ligand Interaction by using Deep Learning Models☆11Nov 13, 2018Updated 7 years ago
- Methods for mapping genomic data onto 3D protein structure.☆28May 17, 2022Updated 3 years ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated last year
- ☆13Sep 8, 2021Updated 4 years ago
- Peptide Virtual Screening Pipeline☆12Jul 3, 2019Updated 6 years ago
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆52Mar 7, 2025Updated 11 months ago
- A Java library for handling text and BinaryCIF files.☆13Jan 13, 2026Updated last month
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Dec 30, 2022Updated 3 years ago
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 3 years ago
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆17Dec 26, 2022Updated 3 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Sep 29, 2020Updated 5 years ago
- a protein descriptor for site prediction☆16Aug 9, 2019Updated 6 years ago
- ☆17Mar 11, 2023Updated 2 years ago
- LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.☆16Feb 20, 2021Updated 5 years ago