Top "Chemistry" questions

For programming questions that involve chemistry - such as questions about programmatically working with chemical formulae, simulating chemical processes, or using chemistry-related libraries and APIs.

Parsing a chemical formula

I'm trying to write a method for an app that takes a chemical formula like "CH3COOH" and returns some …

java chemistry
Counting significant figures in Python?

Is there a way in Python to count the significant figures in a double/float/etc? I'm not seeing an …

python math chemistry significant-digits
Python Progam to read SDF (chemistry) file

I want to read sdf file (containing many molecules) and return the weighted adjacency matrix of the molecule. Atoms should …

python chemistry