drug-computing

imported

therapeutics/drug-computing

Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.

Machine-generated from the listed sources and not yet reviewed by a human.

drug-computing project image — GitHub preview card for MobleyLab/drug-computing. Served by its origin, not stored here, and not covered by this registry’s licence.

record

Category: Therapeutics
Subcategory: unknown
License: CC-BY-4.0(cc)
Status: maintained
Maturity: deployed
Organization: MobleyLab
Country: unknown
Homepage: unknown
Repository: github.com/MobleyLab/drug-computing
Documentation: unknown
Tags: docking · drug-discovery · educational-software · ligand-screening · molecular-dynamics · molecular-dynamics-simulation · monte-carlo · python
Regulatory: unknown

built by · 6

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.

similar by tags

Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.

rxdockdocking · drug-discovery · ligand-screening
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on…
screenlampdocking · drug-discovery · ligand-screening
screenlamp is a Python toolkit for hypothesis-driven virtual screening
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…
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
yankdrug-discovery · molecular-dynamics · molecular-dynamics-simulation
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
FlexAIDdocking · ligand-screening
Flexible Artificial Intelligence Docking

sources

api.github.com/repos/MobleyLab/drug-computing
retrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2025-03-11, 165 stars, license reported as CC-BY-4.0. Category and schematic were assigned by keyword heuristics and are unreviewed.

Not yet verified by a human. Correct this record →

machine-readable

/v1/entries/60.json→ .entries["drug-computing"]

Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.