molfeat

Last released Aug 14, 2024

molfeat - the hub for all your molecular featurizers

molfeat-hype

Last released May 4, 2023

molfeat plugin that leverages the most hyped LLM models in NLP for molecular featurization

graphormer-pretrained

Last released Apr 11, 2023

Packaging of Graphormer is a deep learning package by Microsoft that allows researchers and developers to train custom models for molecule modeling tasks.

molfeat-padel

Last released Apr 10, 2023

molfeat plugin to support featurization using Padel descriptors

smexplainer

Last released Sep 30, 2021

A python library to explains molecular patterns (SMARTS)

CoreTracker

Last released May 9, 2018

CoreTracker, A codon reassignment tracker

FisherExact

Last released Mar 1, 2018

Fishe's Exact test for mxn contingency table

ProfileNJ

Last released Oct 18, 2016

profileNJ correct polytomies in tree, using minimum reconciliation (with specietree) cost, and Neighbor-Joining algorithm for clustering