Pinned Repositories
degpred
A deep learning model to predict E3 binding sites (degrons) on protein substrates
expert_readed_books
2021年最新总结，推荐工程师合适读本，计算机科学，软件技术，创业，**类，数学类，人物传记书籍
gpusimilarity
A Cuda/Thrust implementation of fingerprint similarity searching
graph-nvp
GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
GraphBP
Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
holoprot
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
LiGAN
Deep generative models of 3D grids for structure-based drug discovery
ligdream
Novel molecules from a reference shape!
masif
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
MELLODDY-TUNER
sjwdbl's Repositories
sjwdbl/degpred
A deep learning model to predict E3 binding sites (degrons) on protein substrates
sjwdbl/expert_readed_books
2021年最新总结，推荐工程师合适读本，计算机科学，软件技术，创业，**类，数学类，人物传记书籍
sjwdbl/gpusimilarity
A Cuda/Thrust implementation of fingerprint similarity searching
sjwdbl/graph-nvp
GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
sjwdbl/GraphBP
Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
sjwdbl/holoprot
Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
sjwdbl/LiGAN
Deep generative models of 3D grids for structure-based drug discovery
sjwdbl/ligdream
Novel molecules from a reference shape!
sjwdbl/masif
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
sjwdbl/MELLODDY-TUNER
sjwdbl/MichelaNGLo
A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site
sjwdbl/MolPredict
this is a express web site for ji
sjwdbl/MolVS
Molecule Validation and Standardization
sjwdbl/Neural-Network-Models-for-Chemistry
A collection of Nerual Network Models for chemistry
sjwdbl/ngl
WebGL protein viewer
sjwdbl/nglview
Jupyter widget to interactively view molecular structures and trajectories
sjwdbl/OAReactDiff
An object-aware diffusion model for generating chemical reactions
sjwdbl/OpenBioMed
sjwdbl/PatentNetML
sjwdbl/potency-envelope
sjwdbl/PS-VAE
This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.
sjwdbl/reacnetgenerator
an automatic reaction network generator for reactive molecular dynamics simulation
sjwdbl/test
sjwdbl/virtual-screening-validation
A collection of virtual screening benchmarking
sjwdbl/waves-core
WAVES is a reusable web application dedicated to bioinformatic tool integration