CADD Vault
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CADD Vault
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Computer-Aided Drug Design (CADD) Vault
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Dimensionality reduction
Dimensionality reduction
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Drug target interaction (DTI) screening
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HTS Analysis
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2D
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Courses
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Foundational Models
Important Papers
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ML+AI frameworks for chemistry
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Synthetic Data Generation
Molecular Dynamics
Molecular Dynamics
Automated Workflows
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Databases
Forcefields
Free Energy Calculations
Generation of biomolecular environment
Implicit Solvation
Libraries
Ligand topology generation
ML Potentials
MMGBSA + MMPBSA
Metadynamics
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Strings
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Wrappers for several representations
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ML+AI
Pre trained Models
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QSAR|QSPR
Representation Learning
Protein Generation
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Protein Pocket Generation
Protein Structure
Protein Structure
Allosteric Interactions
Binding Site Alignement
Binding Site Prediction
Binding Site Similarity
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Databases
Homology Modelling
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ML Structure Prediction
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Protein Protein Docking
Protein Protein Interactions
Protein binding
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Sequence Alignment
Structure Manipulation Librairies
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Tunnels and Channels
Water Prediction
QM
QM
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Reaction Tools
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Resources
Resources
Blogs
Books
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Structure based Virtual Screening
Structure based Virtual Screening
Docking Pose Processing
Docking Score Prediction
Docking
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ML+AI
Performance Metrics
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Synthesis
Synthesis
Reaction Formats
Reaction Optimization
Retrosynthesis Prediction
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Target Identification
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Target identification
VS Workflows
VS Workflows
Database
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Workflow Calibration + Optimisation
Visualization Tools
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3D visualization tools
Binding + Docking Poses
Biology + Medicine
Chemistry
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MD Simulations
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Protein Sequences
SDF files
Virtual Screening
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Performance Metrics
Bayesian Enrichment Factor
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Power Metric
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