その他のスキル

上記に当てはまらないスキル（1.4万件）

medchem

無料

Medicinal chemistry filters for compound triage. Apply drug-likeness rules (Lipinski rule of five, Veber, Oprea, CNS, lead-like, rule of three), structural alert catalogs (PAINS a/b/c, NIBR screening-deck severity, Brenk, BMS, Glaxo, Dundee, ChEMBL common alerts), ZINC-15 percentile complexity metrics (Bertz, SAscore, QED, Whitlock, Barone), chemical-group detection, Lilly demerits, and the medchem query language (MATCHRULE, HASALERT, HASPROP, HASGROUP) for filtering a library at scale. Also trigger on medchem, `import medchem as mc`, RuleFilters, NIBRFilters, CommonAlertsFilters, NamedCatalogs, QueryFilter, PAINS filtering, or structural alerts.

日本語の概要は準備中です。原文の説明を表示しています。

K-Dense-AI/drug-discovery-agent-skills482026年10月26日更新

free-energy-perturbation

無料

Compute relative and absolute binding free energies with the Open Free Energy toolkit — the rigorous alchemical alternative to docking scores when a congeneric series needs reliable potency ranking. Use this skill to plan a perturbation network over a ligand set, choose atom mappings, run hybrid-topology or separated-topology protocols, and analyse the result — per-edge ΔΔG with uncertainty, cycle-closure error, and mean unsigned error against measured affinities. Also trigger on OpenFE, alchemical transformation, thermodynamic cycle, RBFE, ABFE, SepTop, lambda window, MBAR, cycle closure, or perturbation map.

日本語の概要は準備中です。原文の説明を表示しています。

K-Dense-AI/drug-discovery-agent-skills482026年10月26日更新

degraders

無料

Work on bifunctional degraders and molecular glues, where potency comes from a ternary complex rather than occupancy. Use this skill to apply the property rules that govern this beyond-rule-of-five space, reason about linker length, attachment vector and E3 ligase choice, prepare inputs for ternary complex structure prediction, and interpret degradation readouts — DC50, Dmax, cooperativity, and the hook effect that makes a dose-response curve turn over. Also trigger on PROTAC, molecular glue, targeted protein degradation, E3 ligase, cereblon, VHL, ternary complex, DC50, Dmax, hook effect, cooperativity, or PROTAC-DB.

日本語の概要は準備中です。原文の説明を表示しています。

K-Dense-AI/drug-discovery-agent-skills482026年10月26日更新

chemical-space

無料

Navigate make-on-demand catalogues — ZINC-22 through CartBlanche and Enamine REAL Space — to find compounds that can actually be ordered. Use this skill to look substances up by ZINC identifier or structure, understand tranche partitioning by heavy-atom count and logP, and choose between screening an enumerated subset and searching a combinatorial synthon space with a fragment-growing method such as V-SYNTHES. Also trigger on ZINC22, CartBlanche, Enamine REAL, make-on-demand, tangible library, synthon, tranche, giga-scale enumeration, or ultra-large virtual screening.

日本語の概要は準備中です。原文の説明を表示しています。

K-Dense-AI/drug-discovery-agent-skills482026年10月26日更新

boltz

無料

Cofold protein-ligand, protein-protein, and nucleic-acid complexes with Boltz-2, and predict binding affinity with its trained affinity head. Use this skill to build Boltz input YAML, run structure prediction with MSAs, pocket constraints, templates, and modified residues, screen compound libraries by cofolding, and interpret confidence scores (pLDDT, pTM, ipTM, PDE) and affinity output (binder probability and log10 IC50). Also trigger on Boltz, Boltz-1, Boltz-2, cofolding, boltz predict, affinity_pred_value, affinity_probability_binary, ipTM, or open-weights AlphaFold3 alternatives.

日本語の概要は準備中です。原文の説明を表示しています。

K-Dense-AI/drug-discovery-agent-skills482026年10月26日更新

cxc-dev-architecture

無料

Use for module boundaries and dependencies. Triggers: circular import, coupling, barrel, re-export, validation placement, 모듈 경계, 순환 참조.

日本語の概要は準備中です。原文の説明を表示しています。