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owenustc's Projects

aav_fitness_landscape icon aav_fitness_landscape

Analysis for "Comprehensive fitness landscape of AAV capsid reveals a viral gene and enables machine-guided design"

acpype icon acpype

Please use OFFICIAL repo: https://github.com/alanwilter/acpype

anarci icon anarci

Antibody Numbering and Antigen Receptor ClassIfication

atom-openmm icon atom-openmm

OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method

bat.py icon 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.

bnt162b2 icon bnt162b2

Markdown version of Reverse Engineering the source code of the BioNTech/Pfizer SARS-CoV-2 Vaccine

caffe icon caffe

Caffe: a fast framework for deep learning. For the most recent version checkout the dev branch. For the latest stable release checkout the master branch.

channels icon channels

Gaussian process models for optimizing channelrhodopsin properties.

ddr4memorycontroller icon ddr4memorycontroller

HDL code for a DDR4 memory controller implementing an Open Page Policy and Out of Order execution.

drugood icon drugood

OOD Dataset Curator and Benchmark for AI-aided Drug Discovery

enas icon enas

TensorFlow Code for paper "Efficient Neural Architecture Search via Parameter Sharing"

evoef icon evoef

EvoEF: fast and accurate tool for ddG prediction

fesetup icon fesetup

A tool for setting up free energy simulations.

gnina icon gnina

A deep learning framework for molecular docking

grover icon grover

This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data

habitat-api icon habitat-api

A modular high-level library to train embodied AI agents across a variety of tasks, environments, and simulators.

hammock icon hammock

Cluster up to millions of peptide sequences on shared sequence motifs.

hh-suite icon hh-suite

Remote protein homology detection suite.

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