Calculation of interatomic interactions in molecular structures
☆88Mar 5, 2026Updated 2 months ago
Alternatives and similar repositories for arpeggio
Users that are interested in arpeggio are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tool(s) for cleaning, munging and analysing PDB files for structural bioinformatics analysis.☆15May 29, 2019Updated 6 years ago
- Calculation of interatomic interactions in molecular structures☆129Sep 3, 2024Updated last year
- Protein interaction calculator☆13Feb 11, 2025Updated last year
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- Parametric Building of de novo Functional Topologies☆44Mar 11, 2022Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆10Nov 10, 2023Updated 2 years ago
- DSSPparser is an easy tool to parse dssp file, and can transform PDB format file to dssp format file by xssp,also support the tansfrom be…☆13Sep 20, 2022Updated 3 years ago
- Structural space exploration of AlphaFold DB☆12Oct 8, 2021Updated 4 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
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 7 years ago
- A framework for rapidly mining structural information from the Protein Data Bank☆52Jun 2, 2020Updated 5 years ago
- Target prediction☆14May 8, 2020Updated 6 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆680Oct 30, 2025Updated 6 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆16Apr 10, 2019Updated 7 years ago
- Python interface for the RCSB PDB search API.☆66Mar 26, 2025Updated last year
- Statistical Analysis of Docking Results and Scoring functions☆21Updated this week
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Apr 7, 2023Updated 3 years ago
- OCEAN - Optimized Cross rEActivity estimatioN☆12Apr 29, 2020Updated 6 years ago
- A dependency-free cross-platform swiss army knife for PDB files.☆453Updated this week
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Learning protein representation for rigid-body docking☆22Nov 2, 2019Updated 6 years ago
- Learning Protein Constitutive Motifs from Sequence Data: RBM toolbox☆20Jan 30, 2019Updated 7 years ago
- AutoDock CrankPep for peptide and disordered protein docking☆62Oct 28, 2025Updated 6 months ago
- ☆30May 15, 2025Updated last year
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆180Oct 10, 2019Updated 6 years ago
- Python/TF1 implementation of DeepAccNet (https://www.biorxiv.org/content/10.1101/2020.07.17.209643v1)☆10Sep 2, 2020Updated 5 years ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆754Jun 19, 2024Updated last year
- ☆14Jul 7, 2025Updated 10 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆106Feb 25, 2021Updated 5 years ago
- Python script that creates 2D protein-ligand interaction images☆14Apr 23, 2018Updated 8 years ago
- Molecular MHFP fingerprints for cheminformatics applications☆98Feb 16, 2023Updated 3 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆41Jul 6, 2021Updated 4 years ago
- PDBFixer fixes problems in PDB files☆647Mar 10, 2026Updated 2 months ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 3 years ago