Pinned Repositories
AAV-barcode-detection-and-normalization
AAV_fitness_landscape
Analysis for "Comprehensive fitness landscape of AAV capsid reveals a viral gene and enables machine-guided design"
acpype
Please use OFFICIAL repo: https://github.com/alanwilter/acpype
alphafold
Open source code for AlphaFold.
ANARCI
Antibody Numbering and Antigen Receptor ClassIfication
AToM-OpenMM
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
autodock-vina
BAT.py
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems, compatible with the AMBER20 and OpenMM 7 simulation packages.
PocketFlow
An Automatic Model Compression (AutoMC) framework for developing smaller and faster AI applications.
Sire
Sire Molecular Simulations Framework
owenustc's Repositories
owenustc/alphafold
Open source code for AlphaFold.
owenustc/AToM-OpenMM
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
owenustc/BAT.py
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems, compatible with the AMBER20 and OpenMM 7 simulation packages.
owenustc/Sire
Sire Molecular Simulations Framework
owenustc/cn_stock_holidays
Holidays of Shanghai and Shenzhen stock exchanges
owenustc/ConvNeXt
Code release for ConvNeXt model
owenustc/cpp-game-engine-book
从零编写游戏引擎教程 Writing a game engine tutorial from scratch
owenustc/DeepAccNet-MSA
owenustc/DrugOOD
OOD Dataset Curator and Benchmark for AI-aided Drug Discovery
owenustc/EvoEF
EvoEF: fast and accurate tool for ddG prediction
owenustc/GeoPPI
owenustc/gnina
A deep learning framework for molecular docking
owenustc/grover
This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
owenustc/k8s-device-plugin
NVIDIA device plugin for Kubernetes
owenustc/karmada
Open, Multi-Cloud, Multi-Cluster Kubernetes Orchestration
owenustc/katib
Repository for hyperparameter tuning
owenustc/libLebConnectionSDK
快直播传输层SDK
owenustc/MMseqs2
MMseqs2: ultra fast and sensitive search and clustering suite
owenustc/nni
An open source AutoML toolkit for automate machine learning lifecycle, including feature engineering, neural architecture search, model compression and hyper-parameter tuning.
owenustc/once-for-all
[ICLR 2020] Once for All: Train One Network and Specialize it for Efficient Deployment
owenustc/openmm-atmmetaforce-plugin
An OpenMM plugin that implements the Alchemical Transfer Potential
owenustc/openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
owenustc/pdfs
Technically-oriented PDF Collection (Papers, Specs, Decks, Manuals, etc)
owenustc/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
owenustc/RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
owenustc/TankBind
Open source code for TankBind. Galixir Tenchnologies
owenustc/tencent-ml-images
Largest multi-label image database; ResNet-101 model; 80.73% top-1 acc on ImageNet
owenustc/TLeague
owenustc/XiangShan
Open-source high-performance RISC-V processor
owenustc/yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.