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  • 👋 Hi, I’m @Jianmin Wang(王建民)
  • 👀 I’m interested in drug discovery and development, data science, artificial intelligence, etc.
  • 🌱 I’m currently learning ...
  • 💞️ I’m looking to collaborate on ...
  • 📫 E-mail: [email protected] DrugAI

Jianmin Wang's Projects

compound_protein_interaction_prediction icon compound_protein_interaction_prediction

This code is a simpler model and faster implementation of Compound-protein Interaction Prediction with End-to-end Learning of Neural Networks for Graphs and Sequences (Bioinformatics, 2018) in PyTorch.

conditionalcgvae icon conditionalcgvae

Conditional Constrained Graph Variational Autoencoders (CCGVAE) for Molecule Design

consurf-pymol icon consurf-pymol

Simple script to color code amino acids according to ConSurf analysis

controlled-peptide-generation icon controlled-peptide-generation

source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics"

convmesh icon convmesh

Code for "Convolutional Generation of Textured 3D Meshes", NeurIPS 2020

cookiecutter-cms icon cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

coot icon coot

Software for macromolecular model-building

corems icon corems

CoreMS is a comprehensive mass spectrometry framework for software development and data analysis of small molecules

cpi icon cpi

Chemical-Protein Interactions (CPI)

crem icon crem

CReM: chemically reasonable mutations framework

crnpy icon crnpy

A python library for the analysis of chemical reaction networks.

crossbar-networks icon crossbar-networks

Comprehensive Resource of Biomedical Relations with Deep Learning and Network Representations (CROssBAR) - Biomedical Networks

cryodrgn icon cryodrgn

Neural networks for cryo-EM reconstruction

cteligible icon cteligible

Use machine learning to find patterns of similar eligibility protocol criteria for clinical trials

ctsgetpy icon ctsgetpy

Python interface to Chemical Translation Service (CTS)

cuemol2 icon cuemol2

CueMol: Molecular Visualization Framework

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