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Oliver Scott

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1526.55 (22,110th) 		Reputation
48 (1,064,637th)
Page: 1
Title Δ
How would you convert a large sdf file of chemical compounds into i... -2.33
Why do we have to append path for Rdkit in Google Colab +3.87
How to generate ECFP hashing folding data? 0.00
How to import rdkit in google colab these days? 0.00
IPython.display: how to change width, height and resolution of a di... 0.00
RDKit: How to change the atom label fontsize? +1.87
Converting SMILES to chemical name or IUPAC name using rdkit or oth... 0.00
Calculate descriptors with RDkit 0.00
Installing RDKit in Google Colab +3.88
Generating conformers of small ligands but preserving correct aroma... 0.00
How can I determine the number of paraffinic CH3, CH2 and CH groups... 0.00
Python argument error occurs when running rdkit.Chem.SaltRemover().... 0.00
Problem using AddMoleculeColumnToFrame on Google Colab 0.00
I need to find a list of all the possible Bonds, angles between ato... 0.00
Deepchem disk data to numpy array 0.00
Output of Graph Convolution in deepchem 0.00
How to install a package rdkit from Conda with pip? 0.00
How to extract values from column of dictionaries in pandas? +4.57
how do I install a specific version of the rdkit library for Python2? +4.00
Grouping by into 15mins 0.00
Use a variable to name another variable -4.22
Best way to filtering few columns in dataframe basing on values 0.00
use str.format() witch class in python 0.00
Splitting data from a CSV file based on index values of a column 0.00
How to only remove the numbers that are before a string and not aft... +3.87
How can I create a list attribute that updates dynamically in Python? 0.00
How do I tell Python to combine every row in a column and return th... 0.00
RDKit installation under Windows and Python3.7.4 0.00
Morgan fingerprint rdkit 0.00
RDKIT: Combine/Add particles 0.00
Cannot allocate memory for array, rdkit converting to numpy array e... +4.40
Using apply() to add a 'value score' to customer data in pa... +2.64
Sanitization error applying reaction to molecule RDKit 0.00
How to protonate a molecule in rdkit? 0.00
How can I compute a Count Morgan fingerprint as numpy.array? +4.00
D3 On node click, show a table/image next to the svg window 0.00