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scaliaven

3 listings · 0 installs

Open-source publisher. Listings imported from github.com/scaliaven — credited to the original author with their license.

↗ github.com/scaliaven
3 results
Self-run
SKILL

Amber Chemist

Use this skill whenever the user wants to run, set up, restart, extend, or replicate Amber-native molecular dynamics — single-replica or replica-exchange — on small organics in explicit or implicit solvent. After the MD finishes, this skill also drives cpptraj-based analysis (RMSD/RMSF/RDF/hbond/radgyr, per-frame energy decomposition via esander) and MMPBSA-style endpoint scoring (MMPBSA / MMGBSA…

0
35
Free
Self-run
SKILL

Ase Chemist

Use this skill whenever the user wants to run, set up, or analyze atomistic simulations on molecules or materials. This covers: molecular dynamics (MD, NVE, NVT, NPT, Langevin, Nose-Hoover) including thermalization, equilibration, and "warm up the system" requests; geometry optimization, energy minimization, or relaxation (BFGS, FIRE, LBFGS — "minimize this molecule", "relax this structure", "fin…

0
34
Free
Self-run
SKILL

Menu Translate

Use this skill whenever the user wants to read, translate, or decode a restaurant menu — from a photo/image/PDF, or by looking a restaurant up online by name or address. Produces a structured bilingual (English + 中文) menu with dish names, romanization/pinyin, descriptions, prices (original + optional converted), and dietary/spice/allergen tags. Photo-mode triggers — "translate this menu", "what d…

0
13
Free
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