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Questions tagged [scientific-software]

Use this tag for questions relating to Scientific Software, i.e. software that is used for Scientific Computing.

is used in its general meaning, but, please remember that software recommendations are off-topic for Stack Overflow, thus scientific software recommendations are off-topic too.

For Software Recommendations use softwarerecs.

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javascript - What are my client-side options?

I love javascript, don't get me wrong, but my problem is I currently want to develop open source web applications for scientific computations and javascript's arithmetic isn't exactly the most precise. I've scripted server-side, but I prefer…
grasingerm
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Scientific calculator - use of logarithm function with base of two

in model casio fx-82ms i must do some scientific calculations with logaritm functions but the calculator calculates all problem base of ten(10) but i need base of two. anyone can help me?
duzenz
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Numpy matmul over object data-type explanation

I am a bit confused when it comes to the operation of numpy.matmul over dtype=object. Can someone explain how the following works? Particularly what is obtained in the last operation "total". I used this method (might be wrong) to replace matrix…
Christofer Iacovou
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Is Pyvista a complete library already? [January 2021]

I was searching for new visualization libraries in Python, and I learned about the existence of Pyvista. The examples I've seen look amazing. I used to work with Mayavi a few years ago, but Pyvista seems very tempting. Are the features in Pyvista…
C-3PO
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How to write code to calculate partial derivative of several variable function in C++?

I already wrote the code to calculate the derivative of a single variable function at a point by making a class called "Der". In class Der, I defined two private variables double f and double df and a print() function to print the values of f and…
uuuuuuuuuu
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extracting binding data in PDB files

pull out PDB binding data I want to pull out residue and hetatom coordinates in PDB files and make an evaluation of what the contact residues are. I then want to compare these residues against alignments. If these residues are conserved in an…
Mike
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How to handle infinite derivatives in scipy odeint?

I have a system of coupled ODEs that I'm trying to solve as an initial value problem using scipy.integrate.odeint. However, every time I run odeint, I get the error lsoda-- at t(=r1) and step size h(=r2), the error test failed repeatedly…
mgmf46
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Pharmacokinetics in Excel - how to account for multiple drug intakes?

As painful as it sounds, I've been tasked to implement a spreadsheet to calculate drug absorption and elimination half-life. I actually use LibreOffice Calc, but a solution tested in Excel would also help me (as it'll probably be portable,…
Marc.2377
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Singularity-container: how to implement significant changes to source in setup?

The aim is to create a singularity container with Feynhiggs/Higgsbounds/HiggsSignal/2HDMC/SusHi running together peacefully. They are a powerful combination, but fiddly to set up. I would like to be able to offer this container as a way to replicate…
Clumsy cat
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How to create a text input that accepts data in one (scientific) format but stores it in another format

I need to let users enter molarity units into an HTML input (mM, uM, nM, and pM) instead of long string of numbers to the right of the decimal point. "16pM" is easier to type than .000000000016. The database will be sending the decimal version to…
Tim
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Debugging no-error hang in MATLAB's ode solver

I have a system of ODE's. The ODE takes a couple of seconds to run in a particular parameter range. For another parameter range, however, MATLAB suddenly takes an infinite amount of time to run (well, ok, only tested to half a day). This is a…
Keegan Keplinger
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