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A curated list of awesome Cheminformatics libraries and software.
A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks.
Extracting meaningful health information from large accelerometer datasets
Mining For Bound-Like Conformations of RNA Using a Binding Cavity Screening Approach.
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
Assorted tools for interacting with .gct, .gctx files and other Connectivity Map (Broad Institute) data/tools
Computes apparent pKa values from QM dat
Decode NGS data from DNA-Encoded Library Screen
Mass Spectrometry for Small Molecules using Deep Learning
DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
DonorsChoose_Dashboard for W209 final project
Dynamic pharmacophore modeling of molecular interactions
eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
FingerPrint Kit - Python-based cheminformatics package for fingerprint-related tasks
A repo for analysis of ensembles of protein-ligand complexes
generate molecular conformations
Generative model for molecular distance geometry
Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)
istar is a software-as-a-service platform for bioinformatics and chemoinformatics.
Materials for workshops on text mining, machine learning, and data visualization
Two Interactive Maps for CT Orchards
data repository for MIDS-209
MIDS W205 Exercise 2 repository
This is the modified molBLOCKS program.
Python package for peptide sequence generation, peptide descriptor calculation and sequence analysis.
An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design
A barebones Node.js app using the Express framework.
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.