computational-chemistry
214
pest-analysis
Guides PEST (Political, Economic, Social, Technological) analysis for strategic planning. Use when analyzing external macro-environmental factors or evaluating business decisions.
flpbalada
research
sorting
stars
current ordering strategy
query
all entries
refine the visible subset
computational-chemistry
213
rdkit
Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.
ai4protein
research
computational-chemistry
213
fda-database
Query openFDA API for drugs, devices, adverse events, recalls, regulatory submissions (510k, PMA), substance identification (UNII), for FDA regulatory data analysis and safety research.
ai4protein
research
computational-chemistry
213
chembl-database
Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
ai4protein
research
computational-chemistry
213
economic-design-audit
Trigger Pattern MONETARY_PARAMETER flag (fee, rate, emission, cap, bps values) - Inject Into Breadth agents (merged via M4 hierarchy)
PlamenTSV
research
computational-chemistry
213
ability-analysis
Trigger Pattern Always (Sui Move) -- foundational security check - Inject Into Breadth agents, depth agents
PlamenTSV
research
computational-chemistry
213
account-validation
Trigger Pattern Always required for Solana audits - Inject Into Breadth agents, depth agents
PlamenTSV
research
computational-chemistry
213
pda-security
Trigger Pattern PDA flag detected (seeds/bump/find_program_address usage) - Inject Into Breadth agents, depth agents
PlamenTSV
research
computational-chemistry
195
cactus-cheminformatics-guide
PNNL cheminformatics LLM agent for molecular analysis
wentorai
research
computational-chemistry
195
nonparametric-tests-guide
Apply Mann-Whitney, Kruskal-Wallis, and other nonparametric methods
wentorai
research
computational-chemistry
195
chemeagle-guide
Multi-agent system for chemical literature information extraction
wentorai
research
computational-chemistry
195
computational-chemistry-guide
DFT, molecular simulation, and reaction prediction tools for chemists
wentorai
research
computational-chemistry
195
medical-imaging-guide
Medical image analysis with deep learning for research applications
wentorai
research
computational-chemistry
195
chemgraph-agent-guide
Automate molecular simulations with the ChemGraph agentic framework
wentorai
research
computational-chemistry
195
molecular-dynamics-guide
Molecular dynamics simulation setup, execution, and trajectory analysis
wentorai
research
computational-chemistry
195
pubchem-api-guide
Search PubChem for chemical compounds, structures, and bioassay data
wentorai
research
computational-chemistry
195
huggingface-api
Search and discover ML models, datasets, and Spaces on Hugging Face
wentorai
research
computational-chemistry
195
biomedical-skills
24 biomedical research skills. Trigger: medical research, clinical trials, genomics, bioinformatics. Design: domain databases, wet-lab/dry-lab methods, and ethical compliance guides.
wentorai
research
computational-chemistry
195
algorithms-complexity-guide
Analyze algorithm complexity and computational efficiency for research
wentorai
research
computational-chemistry
195
computer-vision-guide
Apply computer vision research methods, models, and evaluation tools
wentorai
research
computational-chemistry
195
semantic-paper-radar
Semantic literature discovery and synthesis using embeddings
wentorai
research
computational-chemistry
195
quantum-computing-guide
Explore quantum computing research with Qiskit and Cirq frameworks
wentorai
research
computational-chemistry
195
pharmacovigilance-guide
Adverse drug event detection, safety signal mining, and drug monitoring
wentorai
research
computational-chemistry
195
algorithm-visualizer-guide
Guide to Algorithm Visualizer for interactive algorithm exploration
wentorai
research