wenhao-gao
I'm currently a PhD student in ChemE at MIT. I'm interested in developing systematical molecular design and synthesis protocols.
Cambridge, MA
Pinned Repositories
TDC
Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science
active_mpnn
Active Learning with directed mpnn
askcos_synthesizability
mol-opt
Mol-Opt: a toolbox for molecular design
Mol_Generation
Molecular generation by reinforcement learning
mol_opt
Protein_Folding_Env
Protein modeling learning environment for deep reinforcement purpose.
substrate_scope_contrastive_learning
synformer
SynNet
wenhao-gao's Repositories
wenhao-gao/mol_opt
wenhao-gao/SynNet
wenhao-gao/synformer
wenhao-gao/askcos_synthesizability
wenhao-gao/mol-opt
Mol-Opt: a toolbox for molecular design
wenhao-gao/active_mpnn
Active Learning with directed mpnn
wenhao-gao/Mol_Generation
Molecular generation by reinforcement learning
wenhao-gao/Protein_Folding_Env
Protein modeling learning environment for deep reinforcement purpose.
wenhao-gao/substrate_scope_contrastive_learning
wenhao-gao/mol_dqn
Implementation of generative models
wenhao-gao/MolVAE
wenhao-gao/pytorch-generative-model-collections
Collection of generative models in Pytorch version.
wenhao-gao/24IAP_ml4moldesign
wenhao-gao/AI4ScienceCommunity.github.io
wenhao-gao/benchmark_VAE
Library for Variational Autoencoder benchmarking
wenhao-gao/CapsNet_on_PDBSecStruct
wenhao-gao/CIFAR-ZOO
PyTorch implementation of CNNs for CIFAR dataset (97.71% on cifar10)
wenhao-gao/ga_test
A genetic algorithm for goal directed molecular generation
wenhao-gao/ganlab
GAN Lab: An Interactive, Visual Experimentation Tool for Generative Adversarial Networks
wenhao-gao/models
Models and examples built with TensorFlow
wenhao-gao/PSPD_minimization
A comparison of several minimization methods in Rosetta. Final project in Protein Structure Prediction and Design (JHU 19SP)
wenhao-gao/python-latex-highlighting
LaTeX style for Python highlighting
wenhao-gao/python_pytorch_class
This repo contains the content prepared for Scotch (Scientific Computing From Scratch) class
wenhao-gao/rdkit
The official sources for the RDKit library
wenhao-gao/Real-time-multi-style-transfer
Real time multi style transfer implementation in PyTorch
wenhao-gao/Reinvent
wenhao-gao/synthesis-dags
Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"
wenhao-gao/wenhao-gao.github.io
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