alchemiscale

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therapeutics/alchemiscale

a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home

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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.

alchemiscale-fahalchemistry · distributed-computing · drug-discovery
protocols and compute service for using alchemiscale with Folding@Home
pyscreenerdistributed-computing
pythonic interface to virtual screening software
cuneiformdistributed-computing
Cuneiform distributed programming language
50_layer_Resnetdrug-discovery
50 Layer Resnet to predict the regression values of Tetrahymena pyriformis IGC50 from 2d molecular images only
AAVGendrug-discovery
Protein Language model for AAV capsid generation.
ablanxdrug-discovery
JAX/Flax port of AbLang2's AbRep encoder: differentiable antibody language-model embeddings and per-block attention, loading the original weights unchanged.

sources

api.github.com/repos/OpenFreeEnergy/alchemiscale
retrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2026-07-31, 36 stars, license reported as NOASSERTION. Category and schematic were assigned by keyword heuristics and are unreviewed. GitHub reported NOASSERTION; the licence was read from the LICENSE file as Apache-2.0, MIT, because GitHub's detector does not recognise open hardware licences.

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/v1/entries/6.json→ .entries["alchemiscale"]

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