Po-Yu Kao's repositories
QuantumMolGAN-PyTorch
This repository contains the source code of Exploring the Advantages of Quantum Generative Adversarial Networks in Generative Chemistry
pytorch-v0.4.0
This is the source codes of pytorch verison 0.4.0
alphafold
Open source code for AlphaFold.
awesome-interview-questions
:octocat: A curated awesome list of lists of interview questions. Feel free to contribute! :mortar_board:
CARD
Official PyTorch implementation for the paper "CARD: Classification and Regression Diffusion Models"
cddd
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
coding-interview-university
A complete computer science study plan to become a software engineer.
DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
EquiBind
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
esm
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
guacamol
Benchmarks for generative chemistry
ImageMol
ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
MolGpKa
The graph-convolutional neural network for pka prediction
MolTrans
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
olympus
Olympus: a benchmarking framework for noisy optimization and experiment planning
ord-data
Official data repository for the Open Reaction Database
Python
All Algorithms implemented in Python
quantum-gan
PyTorch and PennyLane implementation of Quantum GAN with Hybrid Generator.
selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
SeqVec
Modelling the Language of Life - Deep Learning Protein Sequences
Tartarus
A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
TDC
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science
tech-interview-handbook
💯 Curated coding interview preparation materials for busy software engineers
UniRep
UniRep model, usage, and examples.