My RDKit Cheatsheet
Published:
Cheatsheet for RDKit package in python: (1) Draw molecules in jupyter enviroment; (2) use with Pandas Dataframe (3) Descriptors/Fingerprints and (4) Similarity Search etc.
Posts by Tags
Cheatsheet
DGL
DGL Walkthrough 01: Data
Published:
A walk through of DGL library. Deep Graph library (DGL) is a Python package built for easy implementation of graph neural network model family on top of existing deep learning framework (e.g., Pytorch, MXNet etc.). More detials can be found on the official website.
Highlights of the Month
Highlights of the Month: May 2020
Published:
Keywords: ICLR 2020; multitask learning with fastai; fastai + huggingface; learn2learn
Highlights of the Month: April 2020
Published:
Key words: JupyterLab; NMR; WSL; NLP tutorial/recipes
Highlights of the Month: March 2020
Published:
Key words Sub-Word Tokenization; Ligand-Based Virtual Screening; Meta Learning; ELECTRA;
Highlights of the Month: February 2020
Published:
Key words for this month: Reformer; TMAP; libmolgrid;
Highlights of the Month: January 2020
Published:
Key words for this month: Functional Groups; Unsupervised/Self-supervised representation leaning; Generative Models;
RDKit
My RDKit Cheatsheet
Published:
Cheatsheet for RDKit package in python: (1) Draw molecules in jupyter enviroment; (2) use with Pandas Dataframe (3) Descriptors/Fingerprints and (4) Similarity Search etc.
TMAP
A walkthrough of TMAP
Published:
The notebook version is here.