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kehan liu's Projects

configs icon configs

Config files used to define parameters specific to compute environments at different Institutions

ctrl icon ctrl

Conditional Transformer Language Model for Controllable Generation

d-script icon d-script

A structure-aware interpretable deep learning model for sequence-based prediction of protein-protein interactions

d2l-zh icon d2l-zh

《动手学深度学习》:面向中文读者、能运行、可讨论。中英文版被60多个国家的400多所大学用于教学。

ddgscan icon ddgscan

DDGScan: an integrated parallel workflow for the in silico point mutation scan of protein

deepab icon deepab

Deep learning models and structure realization scripts for the DeepAb antibody structure prediction method.

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

deeprank-gnn-esm icon deeprank-gnn-esm

Graph Network for protein-protein interface including language model features

deepscm icon deepscm

A convolutional neural network model to predict spatial charge map (SCM) score, a molecular dynamics simulation-based model to predict antibody viscosity.

deepumqa icon deepumqa

DeepUMQA: Ultrafast Shape Recognition-based Protein Model Quality Assessment using Deep Learning

diffab icon diffab

✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)

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)

diffsbdd icon diffsbdd

A Euclidean diffusion model for structure-based drug design.

discotope3_web icon discotope3_web

DiscoTope-3.0: Improved B-cell epitope prediction using AlphaFold2 modeling and inverse folding latent representations

dive-into-dl-pytorch icon dive-into-dl-pytorch

本项目将《动手学深度学习》(Dive into Deep Learning)原书中的MXNet实现改为PyTorch实现。

dlab-public icon dlab-public

Code for the paper "DLAB - Deep learning methods for structure-basedvirtual screening of antibodies"

dmpfold2 icon dmpfold2

Fast and accurate protein structure prediction

dnapy icon dnapy

DNA plasmid editing - written in python

dock2d icon dock2d

Dock2D: Synthetic datasets for the molecular recognition problem

docknet icon docknet

RMIT Capstone 2020 DockNet Training Code

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