yank
importedtherapeutics/yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- choderalab
- Country
- unknown
- Homepage
- getyank.org
- Repository
- github.com/choderalab/yank
- Documentation
- unknown
- Tags
- alchemical · alchemical-free-energy-calculations · drug-discovery · free-energy · free-energy-perturbation · molecular-dynamics · molecular-dynamics-simulation · mskcc
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- Academiadrug-discovery · molecular-dynamics · molecular-dynamics-simulation
Este repositorio debe ser el punto de partida y encuentro para cualquier investigador o estudiante que quiera comenzar a trabajar con/en la UIBCDF. Si has caído aquí por otro motivo y este material…
- drug-computingdrug-discovery · molecular-dynamics · molecular-dynamics-simulation
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
- hbatdrug-discovery · molecular-dynamics · molecular-dynamics-simulation
HBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures https://hbat-web.abhishek-tiwari.com
- SENPAImolecular-dynamics · molecular-dynamics-simulation
Molecular dynamics simulation software
- HiMapalchemical-free-energy-calculations
High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)
- Compuchem_selflearn_resourcesdrug-discovery · molecular-dynamics-simulation
A structured, community-driven learning hub for computational chemistry, covering foundations, methods, tools, practical workflows, and hands-on examples to help learners build a clear and…
- api.github.com/repos/choderalab/yankretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2023-07-06, 203 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/8.json→ .entries["yank"]
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