DiffDock Molecular Docking
Diffusion-based molecular docking to predict 3D ligand–protein binding poses (blind docking) with confidence scoring; use when you need pose prediction for drug discovery or virtual screening.
5,145,795 AI resources indexedWorking toward the world’s largest AI resource index.
Reusable instructions for compatible AI agents.
Field counts come from the latest full-catalog snapshot. A resource can belong to several fields and platforms.
Diffusion-based molecular docking to predict 3D ligand–protein binding poses (blind docking) with confidence scoring; use when you need pose prediction for drug discovery or virtual screening.
Query CZ CELLxGENE Census (61M+ cells). Filter by cell type/tissue/disease, retrieve expression data, integrate with scanpy/PyTorch, for population-scale single-cell analysis.
This skill should be used when working with genomic interval data (BED files) for machine learning tasks. Use for training region embeddings (Region2Vec, BEDspace), single-cell ATAC-seq analysis (scEmbed), building consensus peaks (universes), or any ML-based analysis of genomic regions. Applies ...
Use when deploying ANY machine learning model on-device, converting models to CoreML, compressing models, or implementing speech-to-text. Covers CoreML conversion, MLTensor, model compression (quantization/palettization/pruning), stateful models, KV-cache, multi-function models, async prediction,...
Molecular featurization hub (100+ featurizers) for ML. SMILES to fingerprints (ECFP, MACCS, MAP4), descriptors (RDKit 2D, Mordred), pretrained embeddings (ChemBERTa, GIN, Graphormer), pharmacophores. Scikit-learn compatible with parallelization/caching. For QSAR, virtual screening, similarity, an...
Query CZ CELLxGENE Census (61M+ cells). Filter by cell type/tissue/disease, retrieve expression data, integrate with scanpy/PyTorch, for population-scale single-cell analysis.
Build production computer vision pipelines for object detection, tracking, and video analysis. Handles drone footage, wildlife monitoring, and real-time detection. Supports YOLO, Detectron2,
Scalable data processing for ML workloads. Streaming execution across CPU/GPU, supports Parquet/CSV/JSON/images. Integrates with Ray Train, PyTorch, TensorFlow. Scales from single machine to 100s of nodes. Use for batch inference, data preprocessing, multi-modal data loading, or distributed ETL p...
Expert guidance for computer vision development using OpenCV, PyTorch, and modern deep learning techniques for image and video processing.
Battle-tested PyTorch training recipes for all domains — LLMs, vision, diffusion, medical imaging, protein/drug discovery, spatial omics, genomics. Covers training loops, optimizer selection (AdamW, Muon), LR scheduling, mixed precision, debugging, and systematic experimentation. Use when trainin...
Build a ChatGPT-like LLM from scratch using PyTorch step by step
Educational GPT implementation in ~300 lines. Reproduces GPT-2 (124M) on OpenWebText. Clean, hackable code for learning transformers. By Andrej Karpathy. Perfect for understanding GPT architecture from scratch. Train on Shakespeare (CPU) or OpenWebText (multi-GPU).
Try a broader search or clear some filters.
Platform labels describe intended use. Read each resource's author credits, requirements and available access methods.