Search Results for "compound"

RetroScheme was specifically designed to help Chemists in knowing potential starting material through retrosynthetic analysis. The App is basically a GUI wrapper for the library Aizynthfinder from Astrazeneca.. - The App is coupled with molecular sketching tool to sketch your compound - This was made to be easy for the user and can be used endlessly to assist in potential new drug synthesis

Latest version 0.9.1 runs on Python3. Date: June 15, 2023 Online/touch-screen version: https://www.asymptopia.com/tuxmathscrabble/ Encourages kids to construct compound equations and consider multiple abstract possibilities.

...Specifically, we will explore the possibility to create new knowledge about closely-related languages, and efficiently develop additional, more advanced resources for (a) compound segmentation; and (b) the semantic analysis of compounds; as such, the project will be divided into two interrelated subprojects, to be executed simultaneously. The focus in this project will be on Afrikaans (with Dutch as the closely-related, well-sourced language), which will lay grounds for future work on other closely-related language pairs.

A lightweight C++ and Python library for finance, statistics and linear algebra. Finance features include compound rate present/future value, annuity, various present/future value coefficients ... Statistics features include mean, median, variance, standard deviation, covariance, correlation, linear regression, probabilities and random variates of various distributions ... Linear algebra features include matrix arithmetic, inverse, determinant, rank, linear system solution, lu/qr decomposition, svd, eigen values/vectors ... ...

Diversity assessments and comparisons of large compound databases require calculating similarities of millions of compounds in an affordable time. ParaSim addresses this challenge by parallelizing the calculations according to the number of computing cores available on a single machine. It is optimized for the throughput of very large numbers of query structures against very large numbers of reference structures.

Molecular Interaction Potential Generator MIPGEN is a python program that will calculate Molecular Interaction Potential grids over a given molecule, that could be either a protein or a small organic compound (drug). The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera... For more information on dependencies and usage, please read the Documentation. Users are welcome to post any bug or request under BUGS & REQUESTS menu. ...

This project is aimed at providing useful thermodynamic tools for biochemists, including formation energy estimation of virtually every biochemical compound and metabolic pathway analysis and profiling.