pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of structures. It is specially tuned to do fast collective RMSD calculations, as pairwise RMSD matrices.
☆28Aug 20, 2020Updated 6 years ago
Alternatives and similar repositories for pyRMSD
Users that are interested in pyRMSD are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Julia tools for reading Crystallographic Information Framework (CIF) files and dictionaries☆15Apr 10, 2026Updated 5 months ago
- Julia utilities for reading in and analyzing Gromacs simulation results☆19Oct 3, 2020Updated 5 years ago
- Ångström, a Python package for molecular architecture and visualization☆18May 15, 2020Updated 6 years ago
- Exercises on Python coding☆74Jul 7, 2022Updated 4 years ago
- Bondorder and formal charge determination for molecules☆10Jan 16, 2022Updated 4 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.
- This repo contains the collection of codes to find designer interfacial mutations☆17Sep 4, 2023Updated 3 years ago
- A free energy command line tool using alchemlyb☆17Dec 11, 2022Updated 3 years ago
- The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative struct…☆37Feb 14, 2024Updated 2 years ago
- ☆14Dec 18, 2019Updated 6 years ago
- Flexible Artificial Intelligence Docking☆20Aug 27, 2025Updated last year
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆16Apr 3, 2026Updated 5 months ago
- Statistical Mechanics for Chemistry and Biology☆13May 4, 2026Updated 4 months ago
- Molecular kaleidoscope☆15Apr 11, 2018Updated 8 years ago
- Python bindings for TNG file format☆13Oct 14, 2025Updated 11 months 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.
- scripts to visualise results of alphafold2 and 3 multimer runs☆19May 28, 2024Updated 2 years ago
- ☆27May 9, 2022Updated 4 years ago
- EPSAPG: An Extensive Protein Sequence Alignment Profiles Generator Pipeline Combining MMseqs2 and PSI-BLAST☆11Apr 4, 2024Updated 2 years ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆15Jun 15, 2019Updated 7 years ago
- Educational Notes on Molecular Modeling☆14Nov 19, 2020Updated 5 years ago
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Apr 9, 2021Updated 5 years ago
- Experiments in protein folding through language modeling☆10Dec 10, 2021Updated 4 years ago
- Repo hosting the MetFrag website☆11Apr 6, 2026Updated 5 months ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 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.
- A unified and modular interface to homology modelling software☆12Sep 27, 2023Updated 2 years ago
- Biological file format specimens for testing packages, and functions to assist in testing.☆16Nov 18, 2025Updated 10 months ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 5 years ago
- The BiomolecularStructures package provides several Bioinformatics-related modules for Julia.☆12Jun 13, 2017Updated 9 years ago
- Use AlphaFold by Deep Mind in Batch Mode + Multiprocessing☆23Aug 5, 2021Updated 5 years ago
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 3 years ago
- Python package for working with nucleic acid structural designs.☆16Apr 24, 2018Updated 8 years ago
- MDAnalysis home page mdanalysis.org as GitHub pages.☆14Updated this week
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- molecule design for fluorescence☆12Nov 22, 2021Updated 4 years ago
- Sequence-based protein solubility prediction using multidimensional embedding☆13Apr 19, 2021Updated 5 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆21May 12, 2026Updated 4 months ago
- ☆16Jun 27, 2026Updated 2 months ago
- A Prot paper related materials☆11Sep 5, 2022Updated 4 years ago
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 5 years ago
- Protein ribbon plots implemented in Julia using Makie☆25Jun 22, 2026Updated 2 months ago