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3d-generative-sbdd

A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)

ablang2

An antibody-specific language model focusing on NGL prediction

ai-cheminformatics

A curated list of awesome AI and Bioinformatics.

alphafold

Open source code for AlphaFold.

aorta-velocity-cgan-4d-mri

A GitHub repository with Jupyter notebooks for training & testing a CGAN to transform the anatomy of the aorta & velocity metrics from 4D flow MRI using deep learning techniques. Ideal for medical imaging researchers & practitioners

brain-tumor-segmentation-and-survival-prediction-using-deep-neural-networks

Use of state of the art Convolutional neural network architectures including 3D UNet, 3D VNet and 2D UNets for Brain Tumor Segmentation and using segmented image features for Survival Prediction of patients through deep neural networks.

calm

Protein language model trained on coding DNA

cddd

Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.

cgan_image

A conditional generative adversarial network model for image generation

chemical_prediction

ct_2_mri

ct_aortic_anatomy_to_pc_mri_flow_conversion

cvae

Molecular generative model based on conditional variational autoencoder for de novo molecular design

deep_learning_seismocardiagraphy_4d_flow_mri

This repository contains the Python and MATLAB scripts associated with the project titled "A deep learning approach to using wearable seismocardiography (SCG) for diagnosing aortic valve stenosis and predicting aortic hemodynamics obtained by 4D flow MRI".

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

diffab

✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)

diffbind

Python implementation of a denoising diffusion probabilistic model (DDPM) for predicting the binding affinity of a protein-ligand complex.

diffdock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

diffsbdd

A Euclidean diffusion model for structure-based drug design.

diffusion_image_gen

docking_py

Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily automatize and scripted.

drugex

De Novo Drug Design with RNNs and Transformers

e3_diffusion_for_molecules

e3fp

3D molecular fingerprints

e3nn

A modular framework for neural networks with Euclidean symmetry

gnina

A deep learning framework for molecular docking

guided-diffusion

gvp

Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure

gvp-pytorch

Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure

imagemol

improved-diffusion

Release for Improved Denoising Diffusion Probabilistic Models