lkwate

pyscf

Python module for quantum chemistry

FLAN

neural-question-generation

Reinforcement Learning Generation-Evaluator Architecture for Neural Question Generation

docking-wl

Computationally Accelerating Protein-Ligand Matching: A Case Study on Leishmaniasis

rxnaamapper

Reaction SMILES-AA mapping via language modelling

rxnmapper

RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).

ProbAsn

Probabilistic assignment of organic crystals

biocatalysis-model

RXN for biochemical reactions

regression-transformer

Regression Transformer (2023; Nature Machine Intelligence)

helao-pub

hierachical automation of the natural sciences

cparser-nli

Exploit the structure of the constituency parsing for natural language inference

rxn4chemistry

Python wrapper for the IBM RXN for Chemistry API

double-probing-self-attention

MolecularTransformer

legal-information-retrieval

knowledge-graph-nli

Double Probing in Self-attention for Text Entailment

neural-machine-translation

NEURAL MACHINE TRANSLATION BY JOINTLY LEARNING TO ALIGN AND TRANSLATE: Dzmitry Bahdanau, KyungHyun Cho and Yoshua Bengio, 2016

meta_XLM

Cross-lingual Language Model (XLM) pretraining and Model-Agnostic Meta-Learning (MAML) for fast adaptation of deep networks

d2l-en

Interactive deep learning book with multi-framework code, math, and discussions. Adopted at 500 universities from 70 countries including Stanford, MIT, Harvard, and Cambridge.

DeepPurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

generic-model-yii2

atbswp

A minimalist macro recorder