rociomer

faiss

A library for efficient similarity search and clustering of dense vectors.

latent-diffusion

High-Resolution Image Synthesis with Latent Diffusion Models

Awesome-Diffusion-Models

A collection of resources and papers on Diffusion Models

DiT

Official PyTorch Implementation of "Scalable Diffusion Models with Transformers"

hmmlearn

Hidden Markov Models in Python, with scikit-learn like API

gflownet

Generative Flow Networks

cryodrgn

Neural networks for cryo-EM reconstruction

WhatATheme

A customizable Jekyll Portfolio theme which supports blogging.

DiffLinker

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

quickspec

Equational laws for free

Chemformer

DP5

Python workflow for DP5 and DP4 analysis of organic molecules

datasets

Images and other data from the JUMP Cell Painting Consortium

openmm-tutorial-msbs

OpenMM tutorial for the MSBS course

TOSICA

Transformer for One-Stop Interpretable Cell-type Annotation

adobe-illustrator-for-beginners

Source files for Tuts+ course: Adobe Illustrator for Beginners

COATI

COATI: multi-modal contrastive pre-training for representing and traversing chemical space

gatsby-starter-wordpress-homepage

gatsby-starter-contentful-homepage

cellpainting-gallery

Cell Painting Gallery

mist

Encoding MS/MS spectra using formula transformers for inferring molecular properties

AI4PFAS

Dataset and code for "Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity"

augmented_memory

Augmented Memory and Beam Enumeration implementation

benchml

ML benchmarking and pipeling framework

phenexplain

Phenexplain source code

article_templates

Templates for use in preparing articles for the Living Journal of Computational Molecular Sciences (LiveCoMS)

IMPA

GraphINVENT-CNS

Implementation of GraphINVENT for Parkinson Disease drug discovery

BestPracticesMLBioMat

graph-search-algorithms

Implementations of depth-first search, breadth-first search, Dijkstra's algorithm and A* search.