Lists (4)
Starred repositories
Machine Learning Engineering Open Book
Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation
Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)
Multi-domain Distribution Learning for De Novo Drug Design
A cyclic peptide-protein complex dataset derived from AFDB.
AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.
This API provides programmatic access to the AlphaGenome model developed by Google DeepMind.
A topological deep learning model that predicts protein-peptide binding quality.
NVIDIA FastGen: Fast Generation from Diffusion Models
Transform academic PDFs into a Knowledge Graph with typed claims, temporal analysis, bibliometric tools, and grounded LLM synthesis that cites only your corpus.
Steering Conformational Sampling in Boltz-2 via Pair Representation Scaling
Protein Language Modeling beyond static folds reveals sequence-encoded flexibility
IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.
Official repository for DiffPepBuilder and DiffPepDock tools
Official implementation of CP-Composer. It is the released code of 《Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints》, which has been accepted to ICML2025.
Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
Boltz-2 implementation for inference on Tenstorrent hardware
A universal structure-directed lead optimization
Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design