tbwxmu's Stars
thouska/spotpy
A Statistical Parameter Optimization Tool
gdyshi/ml_optimize
机器学习中的优化算法
u-infuse/u-infuse
U-Infuse is a free, open-source software application allowing custom training of deep learning object detectors, without technical expertise within a user-friendly GUI. It democratizes AI by allowing users to annotate data, train and deploy object detectors on custom datasets using their own device.
PaddlePaddle/Paddle
PArallel Distributed Deep LEarning: Machine Learning Framework from Industrial Practice (『飞桨』核心框架,深度学习&机器学习高性能单机、分布式训练和跨平台部署)
bubbliiiing/retinanet-pytorch
这是一个retinanet-pytorch的源码,可以用于训练自己的模型。
benihime91/pytorch_retinanet
A PyTorch implementation of RetinaNet with `ResNet` backbone
yhenon/pytorch-retinanet
Pytorch implementation of RetinaNet object detection.
drorlab/combind
Integrated physics-based and ligand-based modeling.
edbeard/ChemSchematicResolver
Python toolkit for resolving chemical schematic diagrams.
TheAlgorithms/Python
All Algorithms implemented in Python
mcs07/ChemDataExtractor
Automatically extract chemical information from scientific documents
karanicolaslab/combichem
Virtual screening approach for fragments selection and merging to lead-like compounds
ADicksonLab/wepy
Weighted Ensemble simulation framework in Python
LondonLab/PRosettaC
bayer-science-for-a-better-life/Img2Mol
foxsen/archbase
教科书《计算机体系结构基础》(胡伟武等,第三版)的开源版本
marketneutral/lectures
mli/paper-reading
深度学习经典、新论文逐段精读
mtzgroup/ChemPixCH
Recognising hand-drawn molecules with neural networks
molmod/openmm-tutorial-msbs
OpenMM tutorial for the MSBS course
UnixJunkie/align-it
backup of silicos-it's align-it-1.0.4
zoecournia/FEPrepare
RosettaCommons/RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
google-deepmind/alphafold
Open source code for AlphaFold.
carlesperez94/frag_pele
FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand conformational space
openmm/openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
alchemistry/alchemlyb
the simple alchemistry library
luancarvalhomartins/PyAutoFEP
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
daveminh/Chem456-2020S
Web site for Chem 456 - Computational Biochemistry and Drug Design
choderalab/perses
Experiments with expanded ensembles to explore chemical space