Results for “torchdrug”

Access AI-ready drug discovery datasets, benchmarks, and molecular oracles from Therapeutics Data Commons for therapeutic machine learning and pharmacological prediction.

Organizes PyTorch code with a Trainer class, automatic distributed training (DDP/FSDP/DeepSpeed), callbacks, and minimal boilerplate. Scales from laptop to supercomputer with the same code.

Provides guidance on using PyTorch for deep learning, covering tensors, autograd, nn.Module, DataLoaders, and best practices.

Organize PyTorch code into LightningModules, configure Trainers for multi-GPU/TPU, implement data pipelines, callbacks, logging (W&B, TensorBoard, MLflow), and distributed training (DDP, FSDP, DeepSpeed) for scalable neural network training.

Adds PyTorch FSDP2 (fully_shard) to training scripts with correct init, sharding, mixed precision/offload config, and distributed checkpointing. Use when models exceed single-GPU memory or when you need DTensor-based sharding with DeviceMesh.

Predict molecular properties, train graph neural networks, and run drug discovery workflows using DeepChem's featurizers, models, and MoleculeNet benchmarks.

Add distributed training support to any PyTorch script with minimal code changes using a unified API for DDP, DeepSpeed, FSDP, and mixed precision.

Train reinforcement learning models using torchforge, Meta's PyTorch-native RL library for scalable, algorithm-focused experimentation with GRPO, DAPO, and custom loss functions.

Pretrains large language models from scratch using PyTorch-native distributed training with 4D parallelism (FSDP2, TP, PP, CP) and Float8 support on H100 GPUs.

Computes the SQuAD metric using torchmetrics, given predictions and ground truth. Use when evaluating question-answering outputs with exact match and F1 scores.

Pretrains large language models at scale using PyTorch-native torchtitan with 4D parallelism, Float8, and distributed checkpointing.