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Predict structures of complexes containing proteins, DNA, RNA, and ligands with OpenFold3, an AlphaFold3 reproduction with publicly available model weights. Prepare JSON inputs, generate candidate structures, and inspect confidence scores and molecular clashes.
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Add datasets, models, and other components to machine learning projects using consistent registration and creation patterns. The skill guides file placement, configuration, and automatic module loading so new components fit the project's established architecture.
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Simplest distributed training API. 4 lines to add distributed support to any PyTorch script. Unified API for DeepSpeed/FSDP/Megatron/DDP. Automatic device placement, mixed precision (FP16/BF16/FP8). Interactive config, single launch command. HuggingFace ecosystem standard.
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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 training or fine-tuning neural networks, debugging loss spikes or OOM, choosing architectures, or optimizing GPU throughput.
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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 pipelines.
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PyTorch Geometric (PyG) for graph neural networks: node/graph classification, link prediction with GCN, GAT, GraphSAGE, GIN. Message passing, mini-batches, heterogeneous graphs, neighbor sampling, explainability. Supports molecules (QM9, MoleculeNet), social/knowledge graphs, 3D point clouds. For non-graph DL use PyTorch; for classical graph algorithms use NetworkX.
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Route and use the repository's PyTorch reinforcement-learning examples across tabular control, DQN, on-policy actor-critic, and off-policy continuous control.
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Use the DALLE2-pytorch package for DALL-E 2 style text-to-image model APIs, diffusion prior/decoder training, WebDataset data layouts, and tracker/checkpoint workflows.
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Operate lucidrains DALLE-pytorch for DALL-E style VAE training, transformer training, generation, CLIP ranking, and backend troubleshooting.
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Guides CUDA-based BigGAN-PyTorch training, checkpoint sampling, dataset preparation, metric preparation, model customization, and optional TensorFlow Hub weight conversion.
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Use BERT-pytorch for corpus preparation, vocabulary building, and tiny BERT pretraining workflows.
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Use jadore801120 attention-is-all-you-need-pytorch for Transformer architecture inspection, preprocessing, training, and checkpoint translation workflows.
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Route Auto-PyTorch tabular and forecasting workflows.
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Use AlphaFold 3 PyTorch for protein and biomolecular structure-prediction workflows, heterogeneous molecule inputs, PDB/mmCIF/MSA/template preparation, bounded model inference, training configuration, and local CLI or Gradio operation.
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Routes 3D ResNets PyTorch video action-recognition workflows across training, inference, and data preparation.
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Apply pytorch geometric in reproducible local data workflows with version-aware APIs, explicit assumptions, and validation. Use when the user chooses pytorch geometric or its strengths fit the task.
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Use when writing or changing PyTorch code — model, Dataset/DataLoader, training and evaluation loops, determinism, mixed precision, torch.compile, checkpoints with safetensors, Hugging Face models, ONNX export, and tests that run on CPU
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PyTorch深度学习模式与最佳实践，用于构建稳健、高效且可复现的训练流程、模型架构和数据加载。
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Use when diagnosing NPU + PyTorch or LLM Serving Host CPU affinity, NUMA locality, cgroup/cpuset constraints, CPU range conflicts, PyTorch/runtime threading, DataLoader, tokenizer, scheduler, vLLM-Ascend, SGLang, TTFT, TPOT, tokens/s, QPS, or multi-rank/multi-worker CPU binding issues.
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Fornece orientação para treinamento RL agentico nativo do PyTorch usando torchforge, biblioteca da Meta que separa infraestrutura de algoritmos. Use quando você quer abstrações limpas de RL, fácil experimentação de algoritmos, ou treinamento escalável com Monarch e TorchTitan.
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Otimiza atenção em transformers com Flash Attention para ganho de 2-4x em velocidade e redução de 10-20x em memória. Use ao treinar/executar transformers com sequências longas (>512 tokens), ao encontrar problemas de memória GPU com atenção, ou quando precisa de inferência mais rápida. Suporta SDPA nativo do PyTorch, biblioteca flash-attn, H100 FP8 e sliding window attention.
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Orquestração de treinamento distribuído em clusters. Escala PyTorch/TensorFlow/HuggingFace do laptop para milhares de nós. Ajuste de hiperparâmetros integrado com Ray Tune, tolerância a falhas, escalabilidade elástica. Use ao treinar modelos massivos em múltiplas máquinas ou executar varreduras distribuídas de hiperparâmetros.
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Processamento escalável de dados para workloads de ML. Execução em streaming em CPU/GPU, suporta Parquet/CSV/JSON/imagens. Integra-se com Ray Train, PyTorch, TensorFlow. Escala de uma única máquina para centenas de nós. Use para inferência em lote, pré-processamento de dados, carregamento de dados multi-modal ou pipelines distribuídos de ETL.
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API de treinamento distribuído mais simples. 4 linhas para adicionar suporte distribuído a qualquer script PyTorch. API unificada para DeepSpeed/FSDP/Megatron/DDP. Posicionamento automático de device, precisão mista (FP16/BF16/FP8). Config interativo, comando de launch único. Padrão do ecossistema HuggingFace.
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