Open Source Python Scientific/Engineering Software - Page 27

The intend is to solve the forward-reaction prediction problem, where the reactants are known and the interest is in generating the reaction products using Deep learning. This Graphical User Interface takes simplified molecular-input line-entry system (SMILES) as an input and generates the product SMILE & molecule. Beam search is used in Version 2, to generate top 5 predictions. Maximum input length for the model is 15 (excluding spaces).

The Continuum Solvation Nonpolar Surface Area (CS-NPSA) package is a general purpose program suite for defining and computing nonpolar surface areas based on continuum solvation models. It is based on the classification of individual surface elements representing the solvent accessible surface used for the description of the polarized charge density elements in the CS models.

Cascading and Sharing Survival Trees (CSST) is a tree-based enseble that allows to efficiently analize survival data. It is a strightforward extension of the CS4 method for lifetime collections of data. The CSST software comes along with its companion the CSST Prediction tool, to use the ensemble prediction in everyday life. Please, refer to the user's manual for further information.

This project will allow the user to create non-sensitive, sanitized CSVs automatically, given any CSVs present. Its purpose? Create an easy way for people to share tasks or code that rely on sensitive CSVs, without exposing sensitive data. This project is conducted in Python3. Please see the Readme for more information :)

CT8K is an experimental quantum chemistry program intended to bring state of the art methods to the desktop PC

A web-based system for upoading, managing, sharing, and analyzing bioinformatic data. The system is primarily written in python, and runs on both linux and MacOs.

CURLY3D - A 3-D finite element code written in Python to solve vector Helmholtz eigenproblems in photonics.

Python script for Geocachers. Takes GPX file (eg from Geotoad), downloads waypoints to Garmin Etrex, and produces OpenOffice quick-reference document with the descriptions and hints.

CalPyLab is an open source data acquisition and (light) analysis software suite for scientific laboratories. The goal of this project is to provide a lightweight replacement for lab-view, to provide a quick and easy way to connect to your equipment.

A real-time open source alcohol absorption and metabolism simulator for S60 3rd edition mobile phones. Can plot BAC graphs, predefined drinks, sobering-up time estimation and much more!

This software allows you perform six degree of freedom simulations of High Power Rocket (HPR) and model rocket flights. Parachute descent is also simulated. 3D flight trajectories are produced as well as detailed tabular flight data. Running in Monte Carlo mode allows generates multiple possible flight paths and splash down plots, indicating the probability of landing in an area. Peer-reviewed publication in the Journal of Open Research Software (JORS) http://doi.org/10.5334/jors.137 "Cambridge Rocketry Simulator – A Stochastic Six-Degrees-of-Freedom Rocket Flight Simulator"

This software can be used to calculate thermochemical and kinetic quantities like, enthalpy, entropy, heat capacity and transition state theory rate constants from spectroscopic/quantum data.

This project is a simplified representation of the main immune system cells and their interactions. The aim is to simulate the effect of the introduction of a cancer vaccine cell which would stimulate the immune response against the tumor-associated antigen, and consequently against cancer cells themselves. In vivo vaccination experiments take very long to complete, so it would be useful to simulate these experiments such that the best schedule of vaccination is determined that would result in control of the cancer cell population.

Warning: I found an error if the DR position is on the southern hemisphere. The PUB249 pdf files did not show this error and are correct (as far as I checked). All Revisions 8+ and the Windows release have been fixed. This Python TK application calculates a good set of stars for a 3 star fix, makes all calculations similar to the FAAs Celestial Computation Sheet (see FAA doc FAA-H-8083-18). Also, you can create a PDF file that generates Pub 249 Vol 1 for any epoch you specify. The PUB249 as PDF is found under "Files". I wrote this for my aircraft bubble octant :-) It is mainly useful for air navigation as it assumes a bubble sextant but may be used for normal sextants as well. Requires Ephem and ReportLab (optional for PDF output) Not to be used for real-world navigation!

CellPublisher is a free, open source program to improve the navigation of biological pathways. It converts CellDesigner diagrams into fully-featured maps that live inside a browser. The navigation is based on the Google maps API.

Cellicone is a project to develop an artificial life organism with the necessary components to make it comparable to biological life as we know it. This includes components ranging from proteins to cells to organs to limbs, and many steps between.

Cellogica is a cellular logic analysis tool. It incorporates sequential logic and finite state machine to elucidate the relationship between transcription factors and corresponding gene expression.

This project provides one or more subset solutions for the UK National Health Service National Programme for IT. This project provides basic tools for the production and maintenance of SNOMED CT Clinical Terminology subsets.

ChIP-RNA-seqPRO: A strategy for identifying regions of epigenetic deregulation associated with aberrant transcript splicing and RNA-editing sites. Runnable python scripts packaged together with customized annotation libraries, demo data input and README guide. 9/26 : v1.1 Updated MAIN_IV to debug error thrown by python pandas no longer supporting 'subset'. This code will no longer be actively maintained/updated here. A cloud-based resource for comparative analysis of epigenetic, sequence variation, and expression datasets is now available. Please visit the Cloudomics, project for cloud-based resources: https://sourceforge.net/projects/cloudomics-for-aws/

Generic directory service (for the EPICS tool set). Directory entries are channels with properties and tags. Applications can query a web service to retrieve channels based on wildcard matching on properties and tags, and manipulate the directory data. Code has been moved to GitHub at https://github.com/ChannelFinder

Graphical representation of fractals, IFS's, strange attractors,L-systems and generally chaos theory aspects.

Charlemagne is a versatile genetic programming application which includes a command-line client and an interactive console mode. It features built in input-output mapping support, and is user-extensible for complex fitness evaluation in Python and Lisp

Chartshare is a computer based system for the production, analysis, and distribution of Standard Celeration Charts (http://www.celeration.org).

Charybdis is a Python-driven set of applications for solving partial differential equations on irregular domains.

This is a .exe program (originally python) to balance chemical equations. Just enter the reactants and the products, and this tool will automatically add the coefficients.