Jie Dong's repositories
ChemCOTar
Rational Design of Organelle-targeted Fluorescent Probes: Insights from Artificial Intelligence
crem
CReM: chemically reasonable mutations framework
DesignBODIPY
ML on BODIPY molecules
FASMIFRA
Molecular Generation by Fast Assembly of SMILES Fragments
guacamol
Benchmarks for generative chemistry
kotori_work
Just for backing up my codes, it would be much better if contribute to you
molecule_generator
Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
NewSystem
新闻管理
PharmPapp
Peptide Permeability Prediction: A Systematic Investigation Across Cell Lines, Structural Types, and Modifications
PyBioMed
machine learning, molecular descriptor
reinvent-randomized
Recurrent Neural Network using randomized SMILES strings to generate molecules
sketch-code
Keras model to generate HTML code from hand-drawn website mockups. Implements an image captioning architecture to drawn source images.
SuperAtomicCharge
Out-of-the-box Deep Learning Prediction of Atomic Partial Charges by Graph Representation and Transfer Learning
uvvisml
Predict optical properties of molecules with machine learning.