Root-mean-square deviation of atomic positions
☆11Oct 6, 2023Updated 3 years ago
Alternatives and similar repositories for pyDockRMSD
Users that are interested in pyDockRMSD are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A deep learning framework for deubiquitnase-substrate interaction identification☆13Jul 31, 2025Updated last year
- Exploratory PyMOL-MDAnalysis molecular visualization system.☆20Apr 14, 2022Updated 4 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Oct 14, 2026Updated 3 weeks ago
- ☆17Dec 10, 2024Updated last year
- Open-source docking pipeline leveraging pairwise statistics☆16Jul 26, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆25Apr 20, 2020Updated 6 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆108Jul 30, 2024Updated 2 years ago
- ☆43Oct 1, 2023Updated 3 years ago
- gips - Gaussian model Invariant by Permutation Symmetry☆10Updated this week
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆66Dec 16, 2025Updated 10 months ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆47Oct 2, 2025Updated last year
- Prediction of the activity of molecules/ligands that have been tested to bind or not bind to Beta-Lactamases using machine learning cl…☆10Mar 5, 2026Updated 8 months ago
- The repository of the course "Machine Learning in Drug Design" at the Jagiellonian University, Kraków, Poland. The page is hosted by the …☆11Feb 7, 2022Updated 4 years ago
- A cancer staging client library for Java applications.☆19Oct 4, 2026Updated last month
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Theorem — free, open-source, local-first reading app. Read EPUB, PDF, MOBI, CBZ, RSS. Highlight, annotate, TTS, vocabulary builder, P2P s…☆18Updated this week
- Documentation for Rosetta Applications. The source for the Rosetta documentation wiki.☆11Nov 3, 2026Updated last week
- MULAN: Multimodal Protein Language Model for Sequence and Structure Encoding☆25May 22, 2025Updated last year
- Cryptic pocket prediction using AlphaFold 2☆25Nov 27, 2022Updated 3 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 8 years ago
- 3D equivariant graph transformer for all-atom refinement of protein tertiary structures☆30Jun 21, 2023Updated 3 years ago
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆10Jun 13, 2022Updated 4 years ago
- Paper for release☆11Sep 24, 2021Updated 5 years ago
- ☆11Mar 28, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆14May 9, 2026Updated 6 months ago
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Sep 18, 2023Updated 3 years ago
- ☆52Aug 7, 2023Updated 3 years ago
- Tutorial on deep generative models with experiments on MNIST☆11Nov 7, 2018Updated 8 years ago
- Fragment-based Molecular Expansion☆29Jan 11, 2024Updated 2 years ago
- Structure-aware PRotein ligand INTeraction (SPRINT) is a ultrafast deep learning framework for drug-target interaction prediction.☆22Oct 30, 2026Updated 2 weeks ago
- HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction☆63Dec 9, 2024Updated last year
- Official Implementation of RXNEmb☆10Mar 20, 2026Updated 7 months ago
- code for TubroPETase paper☆10Jun 7, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆10Aug 16, 2022Updated 4 years ago
- A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces☆98Mar 2, 2023Updated 3 years ago
- Cloud-based molecular docking for everyone☆12Jul 1, 2024Updated 2 years ago
- ☆46Jan 10, 2024Updated 2 years ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 4 years ago
- Metrics to evaluate distributional coverage of generative models of protein structures.☆22Aug 13, 2025Updated last year
- Reading cif files with MDAnalysis☆10Jan 27, 2025Updated last year
Are these results useful?