vivian738's starred repositories
posebusters
Plausibility checks for generated molecule poses.
OAReactDiff
An object-aware diffusion model for generating chemical reactions
PharmacoNet
Official Github for "PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling" (NeurIPS 2023 Workshop)
Molecule-Graph-Generation
Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch
pytorch-lightning
Pretrain, finetune ANY AI model of ANY size on multiple GPUs, TPUs with zero code changes.
transformers
🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.
NLP-Tutorials
Simple implementations of NLP models. Tutorials are written in Chinese on my website https://mofanpy.com
scientific-visualization-book
An open access book on scientific visualization using python and matplotlib
Awesome-SBDD
Papers about Structure-based Drug Design (SBDD)