Highlights of the Month: May 2020
Published:
Keywords: ICLR 2020; multitask learning with fastai; fastai + huggingface; learn2learn
Blog
2020
A walkthrough of TMAP
Published:
The notebook version is here.
Highlights of the Month: April 2020
Published:
Key words: JupyterLab; NMR; WSL; NLP tutorial/recipes
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.
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;
2019
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.
Create an Interactive Visualization for Approved Small Molecule Drugs
Published:
In the post, I want to generate an interactive visualization of a chemical space. Each point in the map represents a molecule and close points have similar structures. When you move you mouse on a point, the name and structure of the moelcule will show up.