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Code for the Framepool model
Deep learning AI for generating new molecules that bond to the COVID-19.
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 software tutorials
AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.
Official Python client for accessing ChEMBL API.
Compilation of R and Python programming codes on the Data Professor YouTube channel.
Pretrained Language Models for Source code
Cheat Sheets
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.
Code for the paper "DLAB - Deep learning methods for structure-basedvirtual screening of antibodies"
A package for MD, Docking and Machine learning drug discovery pipeline
A high throughput automated drug discovery pipeline.
Repository of all EJP lab computational projects
Generative Tensorial Reinforcement Learning (GENTRL) model
Graph neural networks for molecular design.
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.
Learning materials, Quizzes & Assignment solutions for the entire IBM data science professional certification. Also included, a few resources that I found helpful.
A collection of IPython notebooks covering various topics.
Listing of papers about machine learning for proteins.
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: Machine Learning for Chemistry and Materials
Molecular machine learning toolkit
MXfold2: RNA secondary structure prediction using deep learning with thermodynamic integration
Paratope Prediction using Deep Learning
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.
Python for chemoinformatics
Molecular dynamics by NMR data analysis (mirror of the relax repository)
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.
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.