Experimental and calculated small molecule hydration free energies

Optimal numerical differentiation of noisy time series data in python.

datalab is a place to store experimental data and the connections between them.

Experimental small molecule hydration free energy dataset

ADAPT is designed for the inverse parameter identification of constitutive material models using mathmatical optimisation. It is designed to work with finite element simulations but its modular implementation offers an interface to basically any simulation framework. The tool is able to use global data such as forces as well as local data such a…

Rapid Data Import Environmnent

Reinforcement Learning Course Project - IIT Bombay Fall 2018

Python library and command line tool performing the Transient Scanning Technique by Brouwer et al.

OOP implementations of fusion policies, and simulations analysis compared to experimental data

A Python Framework for Integrating Classical and Quantum Mechanical Simulation Data, Experimental Data, and Cheminformatics into a Unified Predictive Engine for Macromolecular Design

python-based code to convert experimental DRIFTS data to 3D contour plot

Blazingly fast Python x Rust toolkit for processing and analyzing Polarized Resonant X-ray Experiments

All the results and programming related to the research paper "Observations on cycles in a variant of the Collatz Graph"

A python module aimed at expediting the analysis of biological systems with ODE models

Making transport analysis accessible for experimental scientists.