Autoplot is an interactive browser for data on the web
- RetroScheme is used for molecule sketching and retrosynthesis
Scientific Visualisation Made Easy
ML based QSAR Modelling And Translation of Model to Deployable WebApps
Object-oriented equation-based modelling and optimisation software
A software package for processing and analyzing chemical trajectories
PyAMS (Python for Analog and Mixed Signals) CAD approach
Optical Mini Calculator
Smart Thermodynamic Modeling with Graph Neural Networks
Minfx optimisation library
A collection of python3 modules for Algorithmic Decision Theory
Molecular dynamics by NMR data analysis
Approximate solvation free energy calculator
Uranie is CEA's uncertainty analysis platform, based on ROOT
3D Joint Inversion Framework
Desktop application for merging multiple SDF files into a single SDF
Basic Maths for pre-school
It's possible for machines to become self-aware.
A Python script for estimating the grain size from thin sections
Software for molecular simulations and trajectory analysis