mycode-bit Goto Github PK

5utr

Code for the Framepool model

ai-de-novo-molecule-design

Deep learning AI for generating new molecules that bond to the COVID-19.

ampl

The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

ampl-tutorial

AMPL software tutorials

annapurna

AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.

chembl_webresource_client

Official Python client for accessing ChEMBL API.

code

Compilation of R and Python programming codes on the Data Professor YouTube channel.

codetrans

Pretrained Language Models for Source code

data-science--cheat-sheet

Cheat Sheets

data-science-ipython-notebooks

Data science Python notebooks: Deep learning (TensorFlow, Theano, Caffe, Keras), scikit-learn, Kaggle, big data (Spark, Hadoop MapReduce, HDFS), matplotlib, pandas, NumPy, SciPy, Python essentials, AWS, and various command lines.

dlab-public

Code for the paper "DLAB - Deep learning methods for structure-basedvirtual screening of antibodies"

dockingml

A package for MD, Docking and Machine learning drug discovery pipeline

drugdisco

A high throughput automated drug discovery pipeline.

ejplab_computational_projects

Repository of all EJP lab computational projects

gentrl

Generative Tensorial Reinforcement Learning (GENTRL) model

graphinvent

Graph neural networks for molecular design.

handson-ml2

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

ibm-data-science-professional-certification

Learning materials, Quizzes & Assignment solutions for the entire IBM data science professional certification. Also included, a few resources that I found helpful.

ipython-notebooks

A collection of IPython notebooks covering various topics.

machine-learning-for-proteins

Listing of papers about machine learning for proteins.

mddesign

Set of scripts that facilitate molecular dynamics aided screening of the models generated with Rosetta and selection of the structural ensembles that can be used as input in protein design simulations.

ml4chem

ML4Chem: Machine Learning for Chemistry and Materials

mmltoolkit

Molecular machine learning toolkit

mxfold2

MXfold2: RNA secondary structure prediction using deep learning with thermodynamic integration

parapred

Paratope Prediction using Deep Learning

prottrans

ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.

py4chemoinformatics

Python for chemoinformatics

relax

Molecular dynamics by NMR data analysis (mirror of the relax repository)

rldock

rna-secondary-structure-predictor

This predictor uses MLP (from two python deep learning libraries - mxnet and lasagne), genetic algorithm and MFT net to make predictions about RNA secondary structure.