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business computational chemistry AI 技能

发现 business computational chemistry 相关 Skills,比较来源仓库和用途,查看适合你工作流的技能说明。

分类目录: business computational chemistry

显示第 193–216 个,共 848 个

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GitHub

proteinmpnn

adaptyvbio

Design protein sequences using ProteinMPNN inverse folding. Use this skill when: (1) Designing sequences for RFdiffusion backbones, (2) Redesigning existing protein sequences, (3) Fixing specific residues while...

GitHub

rfdiffusion

adaptyvbio

Generate protein backbones using RFdiffusion, a diffusion-based generative model for de novo protein structure generation. Use this skill when: (1) Designing binder scaffolds for a target protein, (2) Generatin...

GitHub

uniprot

adaptyvbio

Access UniProt for protein sequence and annotation retrieval. Use this skill when: (1) Looking up protein sequences by accession, (2) Finding functional annotations, (3) Getting domain boundaries, (4) Finding h...

GitHub

ipsae

adaptyvbio

Binder design ranking using ipSAE (interprotein Score from Aligned Errors). Use this skill when: (1) Ranking binder designs for experimental testing, (2) Filtering BindCraft or RFdiffusion outputs, (3) Comparin...

GitHub

boltzgen

adaptyvbio

All-atom protein design using BoltzGen diffusion model. Use this skill when: (1) Need side-chain aware design from the start, (2) Designing around small molecules or ligands, (3) Want all-atom diffusion (not ju...

GitHub

protein-qc

adaptyvbio

Quality control metrics and filtering thresholds for protein design. Use this skill when: (1) Evaluating design quality for binding, expression, or structure, (2) Setting filtering thresholds for pLDDT, ipTM, P...

GitHub

solublempnn

adaptyvbio

Solubility-optimized protein sequence design using SolubleMPNN. Use this skill when: (1) Designing for E. coli expression, (2) Optimizing solubility of designed proteins, (3) Reducing aggregation propensity, (4...

GitHub

cell-free-expression

adaptyvbio

Guidance for cell-free protein synthesis (CFPS) optimization. Use when: (1) Planning CFPS experiments, (2) Troubleshooting low yield or aggregation, (3) Optimizing DNA template design for CFPS, (4) Expressing d...

GitHub

ligandmpnn

adaptyvbio

Ligand-aware protein sequence design using LigandMPNN. Use this skill when: (1) Designing sequences around small molecules, (2) Enzyme active site design, (3) Ligand binding pocket optimization, (4) Metal coord...

GitHub

foldseek

adaptyvbio

Structure similarity search with Foldseek. Use this skill when: (1) Finding similar structures in PDB/AFDB databases, (2) Structural homology search, (3) Database queries by 3D structure, (4) Finding remote hom...

GitHub

boltz

adaptyvbio

Structure prediction using Boltz-1/Boltz-2, an open biomolecular structure predictor. Use this skill when: (1) Predicting protein complex structures, (2) Validating designed binders, (3) Need open-source altern...

GitHub

gate-evaluation

jmagly

Validate phase gate criteria with multi-agent review and generate pass/fail reports. Use when relevant to the task.

GitHub

brand-compliance

jmagly

Unified brand compliance validation across visual, verbal, and legal dimensions. Use when relevant to the task.

GitHub

task-classifier

alfredolopez80

Classify task complexity (1-10) to route to optimal model. Use when starting any non-trivial task to determine resources and approach. Triggers include: 'classify', 'complexity', 'what model', 'how complex'.

GitHub

research-expert

cin12211

Specialized research expert for parallel information gathering. Use for focused research tasks with clear objectives and structured output requirements.

GitHub

aptos-move-prover

raintree-technology

Expert on Move Prover formal verification - specification language (MSL), preconditions, postconditions, invariants, aborts_if, ensures, requires, modifies, emits, global invariants, schema patterns, quantifier...

GitHub

plutonium

radioactive-labs

High-level guide for working with Plutonium applications - read this first

默认按已收录数据中的 GitHub 仓库 Stars 排序。Stars 属于来源仓库,同一仓库的多个技能可能共享相同数值;它反映仓库关注度,不代表单个技能的安装量或质量评分。

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