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assessing_mol_prediction_confidence

https://arxiv.org/abs/2102.11439

bio_embeddings

Get protein embeddings from protein sequences

biotite

A comprehensive library for computational molecular biology

cpp-primer-plus-6

Programming Exercises of c++ primer plus sixth edition.

crossspeciesworkflow

CWL workflow that facilitate performing a series of structural and phenotype related third party prediction methods starting from either a protein FASTA file or a list of Uniprot IDs. Integrated prediction methods refer to secondary structure, solvent accessibility, disordered regions, PTS modifications (phosphorylation, glycosylation, lipid modification, sumoylation, etc).

cs229-2018-autumn

All notes and materials for the CS229: Machine Learning course by Stanford University

deep-unsupervised-learning-note

CS294-158 Deep Unsupervised Learning Note

deepul

dora

Tools for exploratory data analysis in Python

dssp

Application to assign secondary structure to proteins

dynamic-systems

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

fpocket

fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).

frankji.github.io

freesasa

C-library for calculating Solvent Accessible Surface Areas

getcontacts

Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation

gittutorial

graphormer

This is the official implementation for "Do Transformers Really Perform Bad for Graph Representation?".

hsm

Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."

inference-on-graphical-property

Project with Junwei

initial

intermol

Conversion tool for molecular simulations

libcifpp

Library containing code to manipulate mmCIF and PDB files

masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

mcdb625

mit-18.06-linalg-notes

MIT 18.06 线性代数笔记

moneyprinter

Automate Creation of YouTube Shorts using MoviePy.

moneyprinterv2

Automate the process of making money online.

moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

neural-nets

Neural Nets on Neuroimaging and Genetics