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cai_yc's Projects

deepdock icon deepdock

An experimental package for deep learning for molecular docking

deepfacelab icon deepfacelab

DeepFaceLab is the leading software for creating deepfakes.

deepfmpov3d icon deepfmpov3d

Implementation of Shape and Electrostatic similarity metric in deepFMPO.

deeppocket icon deeppocket

Ligand Binding Site detection using Deep Learning

deeppurpose icon deeppurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

deeprank icon deeprank

Deep learning framework for data mining protein-protein interactions using CNN

deepsmiles icon deepsmiles

DeepSMILES - A variant of SMILES for use in machine-learning

deepsocial icon deepsocial

Social Distancing Monitoring and Infection Risk Assessment in COVID-19 Pandemic and Beyond

develop-zyh icon develop-zyh

DEVELOP - Deep Generative Design with 3D Pharmacophoric Constraints

dgl icon dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

dgl-lifesci icon dgl-lifesci

Python package for graph neural networks in chemistry and biology

diffdock icon diffdock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

diffdock-pp icon diffdock-pp

Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)

difflinker icon difflinker

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

diffsbdd icon diffsbdd

A Euclidean diffusion model for structure-based drug design.

dig icon dig

A library for graph deep learning research

dockey icon dockey

an integrated tool for molecular docking and virtual screening

dockstream icon dockstream

DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

dp5 icon dp5

Python workflow for DP5 and DP4 analysis of organic molecules

dssp icon dssp

Application to assign secondary structure to proteins

dust3d icon dust3d

:dromedary_camel: Dust3D is a cross-platform open-source 3D modeling software. Auto UV unwrapping, auto rigging with PBR Material support, pose and motion authoring all in one.

easyocr icon easyocr

Ready-to-use OCR with 80+ supported languages and all popular writing scripts including Latin, Chinese, Arabic, Devanagari, Cyrillic and etc.

encom icon encom

Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)

equibind icon equibind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

espsim icon espsim

Scoring of shape and ESP similarity with RDKit

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