mdcao
Head of Data Science @TandemAI, former ML Scientist at Gritstone Bio and QuantumSi. Interested in Deep Learning, Information Theory and Bioinformaics
Tandem AIBoston, MA, USA
Pinned Repositories
3DLinker
An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
algorithms
Minimal examples of data structures and algorithms in Python
alphafold3-pytorch
Implementation of Alphafold 3 in Pytorch
capsim
japsa
Just Another JAva Package for Sequence Analysis
npAnalysis
Software for Nanopore Analysis
npReader
Read nanopore sequence reads in real-time
npScarf
PhageXpress
Realtime grouping of insert sequences
xm
Expert Model
mdcao's Repositories
mdcao/alphafold3-pytorch
Implementation of Alphafold 3 in Pytorch
mdcao/alphamissense
mdcao/amromics
Antimicrobial Resistance Analysis
mdcao/bionemo-framework
BioNeMo Framework: For building and adapting AI models in drug discovery at scale
mdcao/chroma
A generative model for programmable protein design
mdcao/ConPLex
Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.
mdcao/ConPLex_dev
mdcao/covid-papers-analysis
mdcao/datamol
Molecular Manipulation Made Easy.
mdcao/DeepPROTACs
mdcao/esm
mdcao/evo
DNA foundation modeling from molecular to genome scale
mdcao/exmol
Explainer for black box models that predict molecule properties
mdcao/google-research
Google Research
mdcao/gpt_index
GPT Index is a project consisting of a set of data structures designed to make it easier to use large external knowledge bases with LLMs.
mdcao/graphrag
A modular graph-based Retrieval-Augmented Generation (RAG) system
mdcao/heme_binder_diffusion
mdcao/Lingo3DMol
mdcao/linkedIn_auto_jobs_applier_with_AI
LinkedIn_AIHawk is a tool that automates the jobs application process on LinkedIn. Utilizing artificial intelligence, it enables users to apply for multiple job offers in an automated and personalized way.
mdcao/MolGen
Code and pre-trained model for the paper "Molecular Language Model as Multi-task Generator."
mdcao/molpal
active learning for accelerated high-throughput virtual screening
mdcao/NeuralPLexer
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
mdcao/Pocket2Mol
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
mdcao/Protac-Design
UROP Project @ Coley Group
mdcao/PROTAC-RL
mdcao/ProtMD
mdcao/REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
mdcao/ResGen
3D_Molecular_Generation
mdcao/rf_diffusion_all_atom
Public RFDiffusionAA repo
mdcao/RFdiffusion
Code for running RFdiffusion