[{"content":"We develop machine learning methods for understanding molecular structure and function. Our research focuses on graph neural networks, generative modeling, representation learning, and property prediction across chemical spaces.\nA major goal is designing unified models capable of transferring chemical intuition across diverse molecular tasks.\n","externalUrl":null,"permalink":"/research/topics/molecular-ai/","section":"Research Topics","summary":"","title":"Molecular AI","type":"research"},{"content":"Most real-world chemistry involves complex mixtures rather than isolated pure molecules. We build machine learning algorithms to model mixture interactions, olfactory perception, solvent dynamics, and metabolic networks.\n","externalUrl":null,"permalink":"/research/topics/chemical-mixtures/","section":"Research Topics","summary":"","title":"Chemical Mixtures","type":"research"},{"content":"We combine Bayesian optimization, robotic automation, and generative AI to create closed-loop self-driving laboratories capable of discovering novel functional molecules and materials autonomously.\n","externalUrl":null,"permalink":"/research/topics/self-driving-labs/","section":"Research Topics","summary":"","title":"Self-Driving Laboratories","type":"research"},{"content":"This document specifies the visual identity, typography hierarchy, color palette, and design tokens for the lab website, slide decks, and digital communications. Institutional references follow the University of Toronto Brand Portal.\n1. Color System # Institutional Primary Anchor # UofT Navy Blue: #002A5C Lab Identity Tones # Lab Dark Pink (Rosa Mexicano): #E7298A Lab Dark Green (Cactus): #66A61E UofT Supporting Accents (Full Extended Set) # Cool Tones # UofT Light Blue: #0072CE UofT Teal: #00828A UofT Slate: #1A3B68 UofT Midnight Blue: #001C3D Warm Tones # UofT Gold: #FFC72C UofT Orange: #E87722 UofT Crimson: #DA291C UofT Burgundy: #7A003C Rich Tones # UofT Purple: #4F2D7F UI Canvas \u0026amp; Neutrals # Primary Text: #1E293B Light Canvas: #F8FAFC Dark Canvas: #1C1D1F Divider Gray: #E2E8F0 Interactive Visual Swatches # UofT Navy Blue #002A5C --color-uoft-blue Rosa Mexicano Pink #E7298A --color-lab-pink Cactus Green #66A61E --color-lab-green UofT Light Blue #0072CE --color-uoft-light-blue UofT Teal #00828A --color-uoft-teal UofT Slate #1A3B68 --color-uoft-slate UofT Midnight Blue #001C3D --color-uoft-midnight UofT Gold #FFC72C --color-uoft-gold UofT Orange #E87722 --color-uoft-orange UofT Crimson #DA291C --color-uoft-crimson UofT Burgundy #7A003C --color-uoft-burgundy UofT Purple #4F2D7F --color-uoft-purple Color Palette Tokens # Token Name Color Name Hex Code --color-uoft-blue UofT Navy Blue #002A5C --color-lab-pink Lab Dark Pink (Rosa Mexicano) #E7298A --color-lab-green Lab Dark Green (Cactus) #66A61E --color-uoft-light-blue UofT Light Blue #0072CE --color-uoft-teal UofT Teal #00828A --color-uoft-slate UofT Slate #1A3B68 --color-uoft-midnight UofT Midnight Blue #001C3D --color-uoft-gold UofT Gold #FFC72C --color-uoft-orange UofT Orange #E87722 --color-uoft-crimson UofT Crimson #DA291C --color-uoft-burgundy UofT Burgundy #7A003C --color-uoft-purple UofT Purple #4F2D7F --color-text-main Primary Text #1E293B --color-bg-light Light Canvas #F8FAFC --color-bg-dark Dark Canvas #1C1D1F --color-border Divider Gray #E2E8F0 2. Typography System # Font Families # Display \u0026amp; Titles: Spectral (Serif — Weights: 400, 600) Body \u0026amp; UI: Fira Sans (Sans-Serif — Weights: 300, 400, 500) Technical \u0026amp; Data: Fira Code (Monospace — Weights: 400, 500) Display \u0026 Titles Spectral (Serif) Chemical Cognition Lab reasoning about molecular structures \u0026 chemical representations. Body \u0026 UI Fira Sans Clean, legible sans-serif for UI elements, article body text, cards, and lab documentation. Technical \u0026 Data Fira Code SMILES = \"CC(=O)OC1=CC=CC=C1C(=O)O\" loss = criterion(pred, target) 3. Structural Constraints # Header Titles (\u0026lt;h1\u0026gt; / Slide Titles): Maximum ~41 characters. Formatted as a declarative sentence. Subtitles (\u0026lt;p.lead\u0026gt; / Slide Subtitles): Maximum ~63 characters. Summarizes the core message. 4. Web CSS Tokens # :root { /* Typography */ --font-title: \u0026#39;Spectral\u0026#39;, Georgia, serif; --font-body: \u0026#39;Fira Sans\u0026#39;, -apple-system, BlinkMacSystemFont, sans-serif; --font-code: \u0026#39;Fira Code\u0026#39;, monospace; /* Institutional Primary \u0026amp; Lab Identity */ --color-uoft-blue: #002A5C; --color-lab-pink: #E7298A; --color-lab-green: #66A61E; /* UofT Cool Accents */ --color-uoft-light-blue: #0072CE; --color-uoft-teal: #00828A; --color-uoft-slate: #1A3B68; --color-uoft-midnight: #001C3D; /* UofT Warm Accents */ --color-uoft-gold: #FFC72C; --color-uoft-orange: #E87722; --color-uoft-crimson: #DA291C; --color-uoft-burgundy: #7A003C; /* UofT Rich Accents */ --color-uoft-purple: #4F2D7F; /* Canvas \u0026amp; Neutrals */ --color-text-main: #1E293B; --color-bg-light: #F8FAFC; --color-bg-dark: #1C1D1F; --color-border: #E2E8F0; } ","date":"8 August 2026","externalUrl":null,"permalink":"/culture/aesthetics/","section":"Lab Culture","summary":"","title":"Aesthetics","type":"culture"},{"content":"","date":"8 August 2026","externalUrl":null,"permalink":"/","section":"Chemical Cognition Lab","summary":"","title":"Chemical Cognition Lab","type":"page"},{"content":"Welcome to the Chemical Cognition Lab Culture section. This guide serves as a living document for lab visual identity, operations, computing guidelines, research practices, and onboarding procedures.\nCulture \u0026amp; Lab Sections # Aesthetics: Visual identity, typography hierarchy, UofT brand palette, and design tokens. Getting Started: Onboarding guide, accounts, first week setup. Research Practices: Reproducibility, project management, and data management. Computing \u0026amp; Infrastructure: GitHub guidelines, Python environments, and cluster execution (Balam, Killarney, Trillium). Communication: Lab meetings, paper writing, and scientific presentations. Lab Operations: Equipment purchasing, travel reimbursement, and lab procedures. ","date":"8 August 2026","externalUrl":null,"permalink":"/culture/","section":"Lab Culture","summary":"","title":"Lab Culture","type":"culture"},{"content":"","date":"20 May 2026","externalUrl":null,"permalink":"/authors/","section":"Authors","summary":"","title":"Authors","type":"authors"},{"content":"","date":"20 May 2026","externalUrl":null,"permalink":"/authors/benjamin-s%C3%A1nchez-lengeling/","section":"Authors","summary":"","title":"Benjamin Sánchez-Lengeling","type":"authors"},{"content":"","date":"20 May 2026","externalUrl":null,"permalink":"/tags/graph-neural-networks/","section":"Tags","summary":"","title":"Graph-Neural-Networks","type":"tags"},{"content":"","date":"20 May 2026","externalUrl":null,"permalink":"/tags/interpretability/","section":"Tags","summary":"","title":"Interpretability","type":"tags"},{"content":"","date":"20 May 2026","externalUrl":null,"permalink":"/authors/other-author/","section":"Authors","summary":"","title":"Other 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Standard commands must execute within the dedicated environment.\nCluster Guidelines # Refer to cluster execution skills (balam-cluster, killarney-cluster, trillium-cluster) for Slurm job submit templates.\n","externalUrl":null,"permalink":"/culture/computing/","section":"Lab Culture","summary":"","title":"Computing \u0026 Infrastructure","type":"culture"},{"content":"TODO\n","externalUrl":null,"permalink":"/people/dumebi-nasa-okolie/","section":"People","summary":"","title":"Dumebi Nasa-Okolie","type":"people"},{"content":"TODO\n","externalUrl":null,"permalink":"/people/edward-lombo/","section":"People","summary":"","title":"Edward Lombo","type":"people"},{"content":"TODO\n","externalUrl":null,"permalink":"/people/elizabeth-reynolds/","section":"People","summary":"","title":"Elizabeth Reynolds","type":"people"},{"content":"TODO\n","externalUrl":null,"permalink":"/people/ella-rajaonson/","section":"People","summary":"","title":"Ella M. Rajaonson","type":"people"},{"content":" Getting Started # Welcome to the lab! Follow these steps during your first week:\nSet up communication channels: Join our lab Slack and mailing list. Access computing clusters: Request accounts on our compute clusters (Balam, Killarney). Configure local environment: Install Conda/Mamba and set up Python standard environments. ","externalUrl":null,"permalink":"/culture/getting-started/","section":"Lab Culture","summary":"","title":"Getting Started","type":"culture"},{"content":"TODO\n","externalUrl":null,"permalink":"/people/jessica-anirisaihan/","section":"People","summary":"","title":"Jessica Anirisaihan","type":"people"},{"content":" Contact \u0026amp; Join Us # The Chemical Cognition Lab is based at the intersection of chemistry, computer science, and robotics.\nProspective Students \u0026amp; Postdocs # We are actively looking for passionate graduate students, postdocs, and undergraduate researchers interested in chemical machine learning, generative molecular modeling, mixtures, and self-driving laboratories.\nTo apply or inquire:\nEmail: Send your CV and a brief description of your research interests to beangoben@gmail.com. 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