futianfan

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.

CORE

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

dictionary

DST

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

GenoCraft

GenoCraft: A Comprehensive, User-Friendly Web-Based Platform for High-Throughput Omics Data Analysis and Visualization

liGAN

MIMOSA

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

MOLER

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

PEARL

deep prototype learning for EHR data

reinforced-genetic-algorithm

Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm

futianfan/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.

futianfan/reinforced-genetic-algorithm

Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm

futianfan/DST

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

futianfan/MIMOSA

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

futianfan/CORE

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

futianfan/GenoCraft

GenoCraft: A Comprehensive, User-Friendly Web-Based Platform for High-Throughput Omics Data Analysis and Visualization

futianfan/dictionary

futianfan/PEARL

deep prototype learning for EHR data

futianfan/liGAN

futianfan/MOLER

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

futianfan/alphaMOL

molecule optimization; drug discovery;

futianfan/DeepPurpose_Data

futianfan/FusionRetro

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

futianfan/guacamol_tdc

tdc leaderboard

futianfan/hint_extend

futianfan/pygod

A Python Library for Graph Outlier Detection (Anomaly Detection)

futianfan/clinical_trial_approval_prediction

clinical trial; clinical trial approval probability;

futianfan/futianfan.github.io

futianfan/HINT

futianfan/LAGNN

[ICML 2022] Local Augmentation for Graph Neural Networks

futianfan/misc

futianfan/pointer-generator-reproduce

futianfan/PRIME

futianfan/PyHealth

A Deep Learning Python Toolkit for Healthcare Applications.

futianfan/pyscreener

pythonic interface to virtual screening software

futianfan/pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

futianfan/SIPF

futianfan/SPEAR

futianfan/TDC

Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development

futianfan/Uncertainty-Quantification-on-Clinical-Trial-Outcome-Prediction