ZhangLiChuan's repositories
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
Structural-Bioinformatics
This is a repository, originally inspired by https://github.com/pb3lab/ibm3202, for the practicals of the MBB/QB course of Structural Bioinformatics at the University of Milano
alphafold
Open source code for AlphaFold.
annotated_deep_learning_paper_implementations
forked from labmlai / annotated_deep_learning_paper_implementations
awesome-AI-cheatsheets
AI与数据科学各类工具库速查表与参考代码
ChEMBL_Structure_Pipeline
ChEMBL database structure pipelines
chembl_webresource_client
Official Python client for accessing ChEMBL API.
DrugEx
An exploration strategy improves the diversity of de novo drug design using deep reinforcement learning
olorenchemengine
OCE is the first infinitely composable library for reproducibly implementing SOTA molecular property prediction/QSAR techniques.
openpharmacophore
First steps of an open library to work with pharmacophoric points and pharmacophores.
optuna
A hyperparameter optimization framework
pharmd
MD pharmacophores and virtual screening
plip
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
pymod
PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.
pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
PyTorch_Tutorial
《Pytorch模型训练实用教程》中配套代码
RateMySupervisor
永久免费开源的导师评价数据、数据爬虫、无需编程基础的展示网页以及新信息补充平台
rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
scikit-opt
Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling salesman)
smilesDrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
tuning_playbook_zh_cn
一本系统地教你将深度学习模型的性能最大化的战术手册。
vmdtools
A bunch of utility scripts for VMD