m-hakmi Goto Github PK

miga

MiGA: Microbial Genomes Atlas

mijia-4k

script, hack and firmware mod for Mijia 4K

minimd

MiniMD Molecular Dynamics Mini-App

mlvalidation

mmcif2biolip

BioLiP2 database curation and web interface

mmdevel

Molecular modeling scripts and things

model-generation

Python scripts to generate an MD-ready model from smiles strings

modelcif

mmCIF-based extension dictionary for computed structure models

models

A collection of pre-trained, state-of-the-art models in the ONNX format

mol-ddie

Implementation of Enhancing Drug-Drug Interaction Extraction from Texts by Molecular Structure Information

moldviewer

Interactive web based visualization of the kinetics of macromolecule processes

molecular-dynamics

molecular-dynamics-interaction-plot

Two scripts for MD interaction analysis (similar to interaction fraction on desmond).

molecular-dynamics-namd

Some representative scripts and codes which I wrote for the purposes of: building structures, generating input files for MD simulations, and analyzing MD output files (e.g. atomic trajectories and log files).

molecular-dynamics-simulation

Sample codes for my book on molecular dynamics simulation

moleculargraphicstoolbox

molecular_dynamics_scripts

The scripts here describe the process of producing a 100 ns Molecular Dynamics Simulation, the trajectory analysis and the calculations with the MMGBSA and MMPBSA methods. The scripts are writen for the AMBER suit.

molecule-icon-generator

Generate nice icons of molecules with a python script

molecule_generator

Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)

moleidoscope

Molecular kaleidoscope

molkit

A molecular manipulation toolkit in Go

molplotly

add-on to plotly which show molecule images on mouseover!

molprobity

Protein and nucleic acid validation service

moltrans

MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)

moply

mozart

The main aim of MOZART (coMpOund enZyme interAction pRedicTor) is to identify the interaction between a compound and enzyme subclasses targets. The model implanted in the platform was developed using a multi-target machine learning model based on an artificial neural network multi-layer perceptron algorithm.

msan

Molecular Substructure-Aware Network for Drug-Drug Interaction Prediction

msys

Tools for preparation and analysis of systems for molecular dynamics.

mutalyzer

Tool suite for HGVS variant descriptions

mutplot