Name: Jianmin Wang
Type: User
Company: Yonsei University
Bio: Drug Design , Linux enthusiast , Medicinal_Chemistry_&_ Synthesis , Chemoinformatics , Data Science, Python and C/C++ programmer，Bioinformatics，Deep Learning，AI
Twitter: Jianmin4drugai
Location: **(China)
Blog: https://jianmin2drugai.github.io/
Jianmin Wang's Projects
Python toolkit for resolving chemical schematic diagrams.
A simple (and probably ropey) Python wrapper for the ChemSpider API
Molecule Design using Monte Carlo Tree Search with Neural Rollout
CheTo - Chemical Topic Modeling
中文医疗NLP领域 数据集，论文 ，知识图谱，语料，工具包
A simple chemical structure graph modeling, drawing and analysis toolkit
🌈Chrome插件英雄榜, 为优秀的Chrome插件写一本中文说明书, 让Chrome插件英雄们造福人类~ ChromePluginHeroes, Write a Chinese manual for the excellent Chrome plugin, let the Chrome plugin heroes benefit the human~
AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
Simplified and standard interface to a number of cheminformatics toolkits
Python wrapper for the NCI Chemical Identifier Resolver (CIR)
Atom mapping script based on the CLCA algorithm.
Cataloging pharmacotherapies in clinical trial from ClinicalTrials.gov
Python script to cluster MOL files by similarity
Convenience Utilities for computations with PBS
Cluster-cross-validation for ligand-based models
Utilities for running parallel jobs with Torque/Moab and MPI
Controlled Molecule Generator for for Optimizing Multiple Chemical Properties
Generate canonical molecule identifiers for quantum chemistry database
A complete computer science study plan to become a software engineer.
Molecular data files generated from the Crystallographic Open Database
ROCS-Derived Features for Virtual Screening
files and scripts used for the study
Comparisons of Drug Generation Models
Scripts related to sequence processing and molecular modeling
Scripts used to prepare small molecules as described in our Plos One paper
The code for "Compound-protein Interaction Prediction with End-to-end Learning of Neural Networks for Graphs and Sequence" (Bioinformatics, 2018).
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