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Name: Daniel Soler
Type: User
Company: NBD | NostrumBioDiscovery
Bio: Sr. Software Developer
Location: Barcelona, Spain
Name: Daniel Soler
Type: User
Company: NBD | NostrumBioDiscovery
Bio: Sr. Software Developer
Location: Barcelona, Spain
AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations
Track hit to lead campaigns of all approved drugs
Get the newest articles on your favourite fields daily. Be tuned!
Automatic Autodock Vina Launcher
Use x-ray crystal info to discriminate between putative binding modes
Physics&Chemistry Dissertation
Open package with DL and ML tools for drug discovery. It is based in a 3 branch package: 2D-QSAR, 3D-QSAR, simulation+AI
Gather of AI scripts for drug discovery. Django based
python wrapper to use fpocket analysis for MD trajectories
List of open gameboards
Coupling active learning approaches with generative models to automatically generate and rank 1M compounds
Summary of all kaggle competitions I've participated
A collection of bash files to launch jobs in different MareNostrum clusters
The Open Force Field toolkit for PELE is a Python package that builds PELE-compatible force field templates using the Open Force Field toolkit.
GUI for PELE
Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]
Group of small scripts to perform pele analysis.
Analysis scripts for PELE
Cuantify the amound of redness out of your PLA in a certain part of your image (user's choice)!
A Python Package for Protein Dynamics Analysis
Simple PDF generation for Python (FPDF PHP port)
Rescore PELE simulation with glide
A unified approach to explain the output of any machine learning model.
All templates to run several software
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.