computational-chemistry-guide
DFT, molecular simulation, and reaction prediction tools for chemists
DFT, molecular simulation, and reaction prediction tools for chemists
Medical image analysis with deep learning for research applications
Automate molecular simulations with the ChemGraph agentic framework
Molecular dynamics simulation setup, execution, and trajectory analysis
Search PubChem for chemical compounds, structures, and bioassay data
Search and discover ML models, datasets, and Spaces on Hugging Face
24 biomedical research skills. Trigger: medical research, clinical trials, genomics, bioinformatics. Design: domain databases, wet-lab/dry-lab methods, and ethical compliance guides.
Analyze algorithm complexity and computational efficiency for research
Apply computer vision research methods, models, and evaluation tools
Semantic literature discovery and synthesis using embeddings
Explore quantum computing research with Qiskit and Cirq frameworks
Adverse drug event detection, safety signal mining, and drug monitoring
Guide to Algorithm Visualizer for interactive algorithm exploration
Causal inference methods including DiD, IV, RDD, and synthetic control
Clinical pharmacology principles for dosing, drug interactions, and patient s...
Computational drug-target interaction prediction and virtual screening
Survey of LLM agents for biomedical scientific discovery
Guide to preprint servers across scientific disciplines
Track and compare research experiments with Aim experiment tracker
Plan reproducible ML experiment runs with parameters and metrics tracking
10 research automation skills. Trigger: automating experiments, tracking results, reproducible pipelines. Design: ML experiment management, workflow orchestration, and lab automation tools.
Detect and manage duplicate items in Zotero libraries
Apply conservation biology methods, databases, and assessment tools
Computer algebra systems: SymPy, SageMath, and Mathematica for research