rlaplaza Goto Github PK
Name: Rubén Laplaza
Type: User
Company: LCMD EPFL
Bio: Digital chemist, mostly speaks python.
Name: Rubén Laplaza
Type: User
Company: LCMD EPFL
Bio: Digital chemist, mostly speaks python.
Bayesian Optimization Hackathon for Chemistry and Materials, Project 15: Adaptive Batch Sizes for Bayesian Optimization of Reaction Yield
:green_book: Update BibTeX files with info from online resources.
Website of the CAMLC24 workshop
Build Python LLM apps in minutes ⚡️
Script to correct connectivity in SDF files via NBO calculations
An interactive structure/property explorer for materials and molecules
Dear PyGui: A fast and powerful Graphical User Interface Toolkit for Python with minimal dependencies
Deep Reinforcement Learning for Automated Stock Trading: An Ensemble Strategy. ICAIF 2020. Please star.
Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
Efficiently calculate 3D-atomic/molecular features for quantitative structure-activity relationship approaches.
Library to compute molecular surfaces and volumes.
A scikit-learn-compatible module for estimating prediction intervals.
A minimal implementation of a VAE on molecules, encoded as SELFIES
A Python package for calculating molecular features
Program for revealing non-covalent interactions
Python-based Informatics Kit for Analysing Chemical Units
Calculate Dynamic Orbital Forces with Python
This is a simple script to plot energy profile diagrams using Python and matplotlib.
Official implementation of the RAVE model: a Realtime Audio Variational autoEncoder
Project of reinforcement Learning course of nanoscale structure prediction
Academic website of R. Laplaza
Some scripts to be run on Helvetios.
Some useful scripts to run jobs in SCITAS Jed.
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.