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linchemin

Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides actionable insights. The toolkit provides a program interface to several Computer-Aided Synthesis Prediction tools, allowing users to devise and calculate metrics on predicted Chemical Synthetic Routes.

line-oriented

OCaml library for basic operations on files made of lines of text

linwrap

Wrapper on top of liblinear-tools

local-dns-resolver

Script to install a local Unbound DNS resolver on your Linux machine with DNSSEC support

lsd

mirror of http://eos.univ-reims.fr/LSD/index_ENG.html

lstm_peptides

Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.

luna

lychi

Layered Chemical Identifier

lz4-chans

open/close binary channels with LZ4 compression in the background

mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

machine-learning-meets-pka

map4

The MinHashed Atom Pair fingerprint of radius 2

markov-molecular-sampling

mayachemtools

mirror of http://www.mayachemtools.org/download/mayachemtools.tar.bz2 as of 25/09/2022

md-comparison

Molecular Dynamics in a variety of languages

md-scripts

Automate MD associated calculations

medchem_moves

meeko

Interfacing RDKit and AutoDock

mendeleev

A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.

menhir

meta-caret

OCaml wrapper for the R caret package

mf-logp_development-

This repository will house all relevant codes and data associated with the development of the MF-LOGP algorithm.

mgig

An efficient feature selection algorithm for text classification

mini-ml-exercise

a toy compiler training project

minicli

Minimalist OCaml library for command line parsing

mipgen

Simple Molecular Interaction Potential Generator in Python (mirror of https://sourceforge.net/projects/mipgen/)

missing-unix

The quest for missing UNIX commands

mmpdb

A package to identify matched molecular pairs and use them to predict property changes.

mod

modifiednb

Popular cheminformatics Naïve Bayes model implemented in scikit-learn