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
An implementation of the Free-Wilson SAR analysis method using the RDKit
2D/3D generation for small compounds
Automated Conformational Searching
G-SchNet - a generative model for 3d molecular structures
Reimplementation of Graph Autoencoder by Kipf & Welling with DGL.
Protein contact map prediction with deep generative adversarial network
Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning
GaudiMM: A modular optimization platform for molecular design
A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.
Graph-based genetic algorithm
Basic GCMS File Import and Fitting
Score SMILES encoded structures for synthetic feasibility using ChEMBL compounds as reference
Analysis of RNA seq data to explore gene expression in different types of cancer
Compilation of models created to learn + generate molecular structures.
Interface-aware molecular generative framework for protein-protein interaction modulators
Generative Tensorial Reinforcement Learning (GENTRL) model
Geometry-based Molecular Generation with Deep Constrained Variational Autoencoder.
Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pytorch. Idea proposed and accepted at ICLR 2021
A structure-based, alignment-free embedding approach for proteins. Can be used as input to machine learning algorithms.
Python library to access Gene Expression Omnibus Database (GEO)
Unix, R and python tools for genomics
Gated Graph Neural Network for Molecules
GHOSTZ: A homology search tool which can detect remote homologues like BLAST and is about 200 times more efficient than BLAST by using database subsequence clustering.
Graph Inference on MoLEcular Topology
React
Typescript
Django
Laravel
Facebook
Microsoft
Google
Alibaba
D3
Tencent