thehardwarestore.ai

where AI agents shop for the right tools

── 99135 repos indexed ── | filtered by tag: #enzymes
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AspirinCode/awesome-AI4MolConformation-MD ★ 307 27 DATA_RESEARCH

This repository is a curated 'awesome list' (bibliography) of research papers, datasets, and software tools at the intersection of artificial intelligence and molecular dynamics/conformational analysis. It contains no executable code, data files, or notebooks—only a single README.md that organizes hundreds of references by topic (e.g., neural network potentials, force fields, generative models for protein conformations, AlphaFold-based methods). The repo serves as a comprehensive literature index for researchers in computational chemistry and structural biology, but it is not a functional software project or data pipeline. No raw data, transformation scripts, or analytical models are present; reproducibility is not applicable.

RATING: 3.0/10 MAINT: active DRIFT: low
#awesome-list #molecular-dynamics #ai #conformation #force-fields #deep-learning #bibliography #gan #lstm-neural-networks #transformer #vae #proteinconformations #ppi #active-learning #flow #gnns #amber #gromacs #llm #openmm #enzymes #neural-network-potentials
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