Jourmore's repositories
100-Days-Of-ML-Code-1
100-Days-Of-ML-Code中文版
pymol-color-alphafold
PyMOL extension to color AlphaFold structures by confidence (pLDDT).
surge
A Fast Chemical Graph Generator
AI-Expert-Roadmap
Roadmap to becoming an Artificial Intelligence Expert in 2022
Deep-Drug-Coder
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
competition-label-affinity
An investigation into the impact of labelled ligand affinity in competition experiments
deepFMPOv3D
Implementation of Shape and Electrostatic similarity metric in deepFMPO.
TF3P
Three-dimensional force fields fingerprints
rin.py
A Python module for the construction and analysis of residue interaction networks in biomolecular 3D structures.
PyWebIO
Write interactive web app in script way.
analysisMDnotebooks
Personal repository for storing notebooks used for MD Analysis.
eachweek
Python与PubMed
SMDAGui_dev
Simple Molecular Dynamic Analysis Graphical interface
protocolGromacs
Automatic gromacs protocol from preparation to production with ligand parametrization through
PDBCor
Extraction of the correlations from the multistate pdb protein coordinates
TTClust
clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
chembl_webresource_client
Official Python client for accessing ChEMBL API.
HOPMA
HOPMA: a tool to boost protein structures dynamical potential using modified elastic networks
getcontacts
Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
colorMSAwithSSE
Generate a image from a multiple sequence alignment (MSA) colored by the secondary structures elements (SSE)
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。
ATPdock
This is a program for ATP-specific protein-ligand docking
MD_LJP
An elementary MD simulation program written in python
ProLIF
Protein-Ligand Interaction Fingerprints
drawrnajs
Draw RNA secondary structures
Contacts-Network-Analysis
Interpretation of contact networks determined from protein crystal structures.
protein-bert-pytorch
Implementation of ProteinBERT in Pytorch