Compuchem_selflearn_resources
importedtherapeutics/compuchem-selflearn-resources
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…
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- maintained
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Documentation
- unknown
- Tags
- computational-chemistry · deep-learning · dft-calculations · drug-design · drug-discovery · machine-learning · molecular-dynamics-simulation
- 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.
- dock6computational-chemistry · drug-design · drug-discovery
DOCK6 is a molecular docking program.
- DockM8computational-chemistry · drug-design · drug-discovery
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
- FlowMolcomputational-chemistry · drug-design · drug-discovery
Mixed continous/categorical flow-matching model for de novo molecule generation.
- OpenChemcomputational-chemistry · drug-design · drug-discovery
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
- drug-computingdrug-discovery · 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.
- yankdrug-discovery · molecular-dynamics-simulation
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
- api.github.com/repos/EasonYD88/Compuchem_selflearn_resourcesretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-01-05, 40 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/37.json→ .entries["compuchem-selflearn-resources"]
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