Tianfan Fu

clinical-trial-outcome-prediction. benchmark dataset and Deep learning method (Hierarchical Interaction Network, HINT) for clinical trial approval probability prediction, published in Cell Patterns 2022.

reinforced-genetic-algorithm. Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm

DST. (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)

MIMOSA. MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization (AAAI 21')

GenoCraft. GenoCraft: A Comprehensive, User-Friendly Web Platform for High-Throughput Omics Data Analysis and Visualization (https://arxiv.org/pdf/2312.14249)

CORE. CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)

dictionary. Python

PEARL. deep prototype learning for EHR data

MOLER. MOLER: Incorporate Molecule-Level Reward to Enhance Deep Generative Model for Molecule Optimization

liGAN. Python

preprocess. Python

guacamol_tdc. tdc leaderboard

MachineLearning. octave algorithm for some machine learning problems.

FusionRetro. [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning

alphaMOL. molecule optimization; drug discovery;

hint_extend. Python

pygod. A Python Library for Graph Outlier Detection (Anomaly Detection)

Awesome-Mamba-Papers. Awesome Papers related to Mamba.

DeepPurpose_Data.