reymond-group/drfp
An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
Jupyter NotebookMIT
Issues
- 3
numpy.int32?
#4 opened by rmrmg - 0
- 0
Add parallelization to `DrfpEncoder.encode()`
#3 opened by cthoyt - 1
Is there a preferred way to store drfps?
#1 opened by cthoyt