HannesStark/3DInfomax

Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.

Language: Python - Size: 155 MB - Last synced at: 6 days ago - Pushed at: almost 2 years ago - Stars: 168 - Forks: 33

HannesStark/hannes-stark

Code for my website built with Angular and running on GitHub Pages.

Language: HTML - Size: 294 MB - Last synced at: 15 days ago - Pushed at: 15 days ago - Stars: 16 - Forks: 8

HannesStark/EquiBind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

Language: Python - Size: 29.1 MB - Last synced at: 4 months ago - Pushed at: 5 months ago - Stars: 500 - Forks: 109

HannesStark/CodonMPNN

Language: Python - Size: 461 KB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 23 - Forks: 0

HannesStark/chroma

Language: Python - Size: 10.6 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 0 - Forks: 0

HannesStark/genie

Language: Python - Size: 16 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 2 - Forks: 0

HannesStark/SMPL-NeRF

Embed human pose information into neural radiance fields (NeRF) to render images of humans in desired poses :running: from novel views

Language: Python - Size: 19.1 MB - Last synced at: 9 months ago - Pushed at: almost 5 years ago - Stars: 58 - Forks: 6

HannesStark/FlowSite

Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design"

Language: Python - Size: 1.25 MB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 79 - Forks: 6

HannesStark/dirichlet-flow-matching

Language: Python - Size: 56.6 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 40 - Forks: 4

HannesStark/HannesStark

Size: 4.88 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

HannesStark/gnn-reinforcement-learning

Representing robots as graphs for reinforcement-learning in PyBullet locomotion environments.

Language: Jupyter Notebook - Size: 20.4 MB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 17 - Forks: 5

HannesStark/protein-localization

Using Transformer protein embeddings with a linear attention mechanism to make SOTA de-novo predictions for the subcellular location of proteins :microscope:

Language: Jupyter Notebook - Size: 12.3 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 43 - Forks: 7

HannesStark/attention-to-binding-sites

Unsupervised method for binding site prediction using attention patterns of protein language models.

Language: Jupyter Notebook - Size: 5.03 MB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 2 - Forks: 0

HannesStark/bayesian-deep-learning

Language: Python - Size: 1.95 KB - Last synced at: over 2 years ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 1

HannesStark/se3-transformer-public Fork of FabianFuchsML/se3-transformer-public

code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503

Language: Python - Size: 134 KB - Last synced at: over 2 years ago - Pushed at: over 4 years ago - Stars: 1 - Forks: 0

HannesStark/testtt_anonymous Fork of momlconf/momlconf.github.io

Size: 18.3 MB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0

HannesStark/test

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HannesStark/ogb Fork of snap-stanford/ogb

Benchmark datasets, data loaders, and evaluators for graph machine learning

Language: Python - Size: 4.1 MB - Last synced at: over 2 years ago - Pushed at: about 4 years ago - Stars: 1 - Forks: 1

HannesStark/e3nn Fork of blondegeek/e3nn

A modular framework for neural networks with Euclidean symmetry

Size: 12.8 MB - Last synced at: over 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 0

HannesStark/logag

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HannesStark/images

Size: 299 KB - Last synced at: over 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0

HannesStark/bachelorThesis

TensorFlow code and LaTex for Bachelor Thesis: Understanding Variational Autoencoders' Latent Representations of Remote Sensing Images :earth_africa:

Language: TeX - Size: 149 MB - Last synced at: over 1 year ago - Pushed at: about 4 years ago - Stars: 1 - Forks: 0

HannesStark/audioImprovement

Removing background noise from clips of speech and improving audio quality (PyTorch)

Language: Python - Size: 44.9 MB - Last synced at: over 2 years ago - Pushed at: almost 5 years ago - Stars: 2 - Forks: 1

HannesStark/molecule-ELECTRA

Pre-train and evaluate Graph Neural Networks or Transformers on molecules with the ELECTRA method.

Language: Python - Size: 83 KB - Last synced at: over 2 years ago - Pushed at: almost 4 years ago - Stars: 3 - Forks: 2

HannesStark/GeoMol Fork of PattanaikL/GeoMol

Language: Python - Size: 20.6 MB - Last synced at: over 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 0

HannesStark/DIG Fork of divelab/DIG

A library for graph deep learning research

Language: Python - Size: 147 MB - Last synced at: over 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 1

HannesStark/SAN Fork of DevinKreuzer/SAN

Language: Python - Size: 227 KB - Last synced at: over 2 years ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 1

HannesStark/ec-number-prediction

Using similarity in embedding space for predicting EC numbers

Language: Jupyter Notebook - Size: 10.3 MB - Last synced at: about 2 years ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 0

HannesStark/bio_embeddings Fork of sacdallago/bio_embeddings

Get protein embeddings from protein sequences

Language: Python - Size: 58.5 MB - Last synced at: over 2 years ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 1

HannesStark/dependencyNodeRanking

R code for NetworkCentralityCalculator. A web-tool with 5 different centrality measures. LaTex and pdf for documentation and explanation of different measures with a focus on "dependency centrality".

Language: TeX - Size: 290 KB - Last synced at: over 2 years ago - Pushed at: almost 5 years ago - Stars: 0 - Forks: 0