Repository for the molecular structures related with Corona virusses and their re-processing
☆64Mar 24, 2025Updated last year
Alternatives and similar repositories for coronavirus_structural_task_force
Users that are interested in coronavirus_structural_task_force 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 python API for fragalysis (fragalysis.diamond.ac.uk)☆13May 22, 2023Updated 3 years ago
- Examples for use of YANK - getyank.org☆12Sep 20, 2021Updated 4 years ago
- Repository for the SCS Spring School on Digital Chemistry☆21Apr 24, 2023Updated 3 years ago
- Probabilistic Inference for NOvel Therapeutics☆15Feb 5, 2022Updated 4 years ago
- Scripts and input files associated with docking and free energy calculations for the COVID Moonshot☆59Feb 19, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Calculate Böttcher score on small molecules (doi.org/10.1021/acs.jcim.5b00723)☆15Sep 20, 2024Updated last year
- MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store☆31Dec 16, 2023Updated 2 years ago
- ☆21Jul 16, 2020Updated 5 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 4 years ago
- ☆25Oct 30, 2020Updated 5 years ago
- 2D portraits of 3D protein structures☆27May 14, 2026Updated last week
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- ☆14May 9, 2018Updated 8 years ago
- A Christmas tree protein☆19Dec 27, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Research and documentation on package management☆24Sep 2, 2021Updated 4 years ago
- 📐 Symmetry-corrected RMSD in Python☆115Apr 27, 2026Updated 3 weeks ago
- View proteins and trajectories in the terminal☆118Aug 8, 2020Updated 5 years ago
- Structure-informed machine learning for kinase modeling☆61Updated this week
- Vantage point tree implementation in OCaml☆19Apr 22, 2025Updated last year
- Statistical Analysis of Docking Results and Scoring functions☆21May 14, 2026Updated last week
- A framework for rapidly mining structural information from the Protein Data Bank☆52Jun 2, 2020Updated 5 years ago
- Report salient qPCR primer/probe or immune epitope mismatches info against a set of pathogen isolate genomes☆16Mar 11, 2025Updated last year
- Benchmark set for relative free energy calculations.☆120May 22, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Bio3D an HTML5 visualization tool for biological datasets☆25May 31, 2020Updated 5 years ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆202Jul 6, 2023Updated 2 years ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆142Nov 10, 2025Updated 6 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Sep 24, 2023Updated 2 years ago
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆41Mar 23, 2026Updated 2 months ago
- How to analyze molecular dynamics data with PyEMMA☆86May 29, 2019Updated 6 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆46Jul 23, 2023Updated 2 years ago
- Biomolecular Illustration Tool☆124Aug 17, 2024Updated last year
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆33Feb 7, 2026Updated 3 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 Python library for structural cheminformatics☆108Nov 18, 2025Updated 6 months ago
- Modelling of Mycoplasma genitalium☆61Jun 2, 2022Updated 3 years ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆54Mar 29, 2022Updated 4 years ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆31Feb 18, 2026Updated 3 months ago
- Code and resources for the EPSRC BioSimSpace project.☆78Sep 1, 2025Updated 8 months ago
- Tools for user-free preprocessing of cryo-EM datasets☆27Nov 22, 2022Updated 3 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago