Generates 3D conformer ensembles using RDKit ETKDGv3 with knowledge-enhanced distance geometry, MMFF94/UFF force-field optimization, CREST + GFN2-xTB semi-empirical refinement, and macrocycle-aware torsion preferences. Provides explicit decision rules for single vs ensemble conformer use, RMSD pruning, energy windows, conformer count, and force-field choice. Use when preparing 3D ligands for docking, generating descriptor input for 3D QSAR, or sampling macrocycle/peptide conformational ensembles.
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BioTender-max/awesome-bio-agent-skills☆ 203Updated Jul 2, 2026
Chooses DPO, GRPO/RLVR, reward models, and over-optimization controls. Use when adapting a pretrained or SFT model with preference or verifiable reward signals.
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vasilyu1983/AI-Agents-public☆ 101Updated Oct 16, 2026
Evaluates dividend policy with payout sustainability, peer comparison, and investor preference analysis across growth and value contexts. Use when analyzing dividend policy, evaluating payout ratios, or designing dividend programs.
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CaseMark/skills☆ 45Updated Oct 17, 2026
@thedotmack's personal landing page design system. Use this skill whenever building landing pages, marketing sites, product pages, or conversion-focused web experiences. Covers visual hierarchy, UX patterns, marketing copy, messaging strategy, and conversion optimization based on proven preferences and successful projects.
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thedotmack/mackeroni-skills☆ 19Updated Apr 22, 2026
Generates 3D conformer ensembles using RDKit ETKDGv3 with knowledge-enhanced distance geometry, MMFF94/UFF force-field optimization, CREST + GFN2-xTB semi-empirical refinement, and macrocycle-aware torsion preferences. Provides explicit decision rules for single vs ensemble conformer use, RMSD pruning, energy windows, conformer count, and force-field choice. Use when preparing 3D ligands for docking, generating descriptor input for 3D QSAR, or sampling macrocycle/peptide conformational ensembles.
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lilinji/GeneTind-Life-Skills☆ 15Updated Aug 21, 2026
Generates 3D conformer ensembles using RDKit ETKDGv3 with knowledge-enhanced distance geometry, MMFF94/UFF force-field optimization, CREST + GFN2-xTB semi-empirical refinement, and macrocycle-aware torsion preferences. Provides explicit decision rules for single vs ensemble conformer use, RMSD pruning, energy windows, conformer count, and force-field choice. Use when preparing 3D ligands for docking, generating descriptor input for 3D QSAR, or sampling macrocycle/peptide conformational ensembles.
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huang-sh/DeepScience☆ 4Updated Jul 15, 2026
Generates 3D conformer ensembles using RDKit ETKDGv3 with knowledge-enhanced distance geometry, MMFF94/UFF force-field optimization, CREST + GFN2-xTB semi-empirical refinement, and macrocycle-aware torsion preferences. Provides explicit decision rules for single vs ensemble conformer use, RMSD pruning, energy windows, conformer count, and force-field choice. Use when preparing 3D ligands for docking, generating descriptor input for 3D QSAR, or sampling macrocycle/peptide conformational ensembles.
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peacezha/TRACE☆ 3Updated Oct 20, 2026
Generates 3D conformer ensembles using RDKit ETKDGv3 with knowledge-enhanced distance geometry, MMFF94/UFF force-field optimization, CREST + GFN2-xTB semi-empirical refinement, and macrocycle-aware torsion preferences. Provides explicit decision rules for single vs ensemble conformer use, RMSD pruning, energy windows, conformer count, and force-field choice. Use when preparing 3D ligands for docking, generating descriptor input for 3D QSAR, or sampling macrocycle/peptide conformational ensembles.
The English summary is being prepared. Showing the original description.
peacezha/HPClaw☆ 3Updated Oct 11, 2026