Amelie's Projects
Retrosynthesis prediction for organic molecules with LocalRetro
SE(3) diffusion models for generating CDR loops
Protein Structure Analysis
Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
MMseqs2: ultra fast and sensitive search and clustering suite
MMseqs2 app to run on your workstation or servers
MoFlow: an invertible flow model for generating molecular graphs
MolBind: Multimodal Alignment of Language, Molecules, and Proteins
Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"
Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)
A Unified Language Model to Integrate Biomedical Text with 2D and 3D Molecular Representations
active learning for accelerated high-throughput virtual screening
Repository for AAAI 2024 paper "MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts"
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
Protein library NGS analysis code for publication
Open source biolab
๐งฌ Nucleotide Transformer: Building and Evaluating Robust Foundation Models for Human Genomics
An object-aware diffusion model for generating chemical reactions
AI-generated gene editing systems
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning โ่บๆๆกจโ็็ฉ่ฎก็ฎๅทฅๅ
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PINDER: The Protein INteraction Dataset and Evaluation Resource
Protein Ligand INteraction Dataset and Evaluation Resource
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