wjm41

pandas-ai

Chat with your database (SQL, CSV, pandas, polars, mongodb, noSQL, etc). PandasAI makes data analysis conversational using LLMs (GPT 3.5 / 4, Anthropic, VertexAI) and RAG.

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

RFdiffusion

Code for running RFdiffusion

jupyter-dash

OBSOLETE - Dash v2.11+ has Jupyter support built in!

phd-thesis-template

A LaTeX / XeLaTeX / LuaLaTeX PhD thesis template for Cambridge University Engineering Department (CUED)

NeuralPLexer

NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

molplotly

add-on to plotly which show molecule images on mouseover!

mols2grid

Interactive molecule viewer for 2D structures

GLN

Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network

clamp

Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language

pipelines

Containerised components for cheminformatics and computational chemistry

Hierarchical-Attention-Network

A PyTorch implementation of the document classification by Hierarchical Attention Network

sweettalk

Deep learning-based language model for glycan sequences

draw-io-neural

neural network template draw.io

GlycanFormatConverter

A conversion tool for translating the complexities of glycans.

protein_universe