futianfan Goto Github PK

alphamol

molecule optimization; drug discovery;

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.

clinical_trial_approval_prediction

clinical trial; clinical trial approval probability;

core

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

decision_tree_prototype_learning

deeppurpose_data

demo_mrf_gibbs_image_denoise

dictionary

dictionary_interpretable

dst

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

ehr

emory_kidney_code

folder-structure-conventions

Folder / directory structure options and naming conventions for software projects

fusionretro

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

futianfan.github.io

genocraft

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

gibbssampling

guacamol_tdc

tdc leaderboard

hint

hint_extend

iclr19-graph2graph

Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)

interpretable_healthcare

lagnn

[ICML 2022] Local Augmentation for Graph Neural Networks

ligan

machinelearning

octave algorithm for some machine learning problems.

mimic_text

mimosa

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

misc

mobilecheckin

Mobile Check in android

moler

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