Utilities for analyzing and reporting results from Smina virtual screens
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Apr 24, 2019 - HTML
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3dmol
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Molecular structure visualizations with 3Dmol.js in Power BI
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Feb 8, 2026 - TypeScript
🤗 Hugging Face space for gnina-torch 🔥
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Sep 22, 2022 - Python
3dmol.js plugin for markdown-it.
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Dec 14, 2018 - JavaScript
Chemistry project created for school competition
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Nov 14, 2025 - JavaScript
Custom Claude skills by tutoringwithsruthi
education chemistry rdkit organic-chemistry 3dmol chemistry-education mhchem anthropic claude-code claude-skill
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May 4, 2026 - Python
Graph-based Protein-Peptide Interaction Predictor. Reranking candidates using ESM-2 embeddings and Graph Neural Networks (GNN) on PROPEDIA data.
structural-biology drug-discovery 3dmol pytorch-geometric gnn bioin protein-peptide esm-2 apple-mlx propedia
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Mar 30, 2026 - Python
Browser-native molecular trajectory viewer with force coloring, atom measurements, and Extended XYZ / VASP parsers. Extracted from simviz.io.
react typescript vasp computational-chemistry poscar mace uma ase 3dmol molecular-visualization extxyz xdatcar ml-force-field
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Apr 28, 2026 - TypeScript
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