msultan's repositories
vde_metadynamics
Enhanced protein mutational sampling using time-lagged variational autoencoders
backup_msultan.github.io
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msultan.github.io
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pytorch-tutorial-1
PyTorch Tutorial for Deep Learning Researchers
AttentionDeepMIL
Implementation of Attention-based Deep Multiple Instance Learning in PyTorch
awesome-graph-classification
A collection of important graph embedding, classification and representation learning papers with implementations.
awesome-production-machine-learning
A curated list of awesome open source libraries to deploy, monitor, version and scale your machine learning
awesome-single-cell
List of software packages for single-cell data analysis, including RNA-seq, ATAC-seq, etc.
CellProfiler
An open-source application for biological image analysis
cmapPy
Assorted tools for interacting with .gct, .gctx files and other Connectivity Map (Broad Institute) data/tools
dino
PyTorch code for Vision Transformers training with the Self-Supervised learning method DINO
graph-based-deep-learning-literature
links to conference publications in graph-based deep learning
huskarl
Deep Reinforcement Learning Framework + Algorithms
Improving-Mean-Absolute-Error-against-CCE
How to preserve MAE's (mean absolute error) noise-tolerance and improve its fitting ability?
lemon
A framework for rapidly mining structural information from the Protein Data Bank
libmolgrid
Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
LovaszSoftmax
Code for the Lovász-Softmax loss (CVPR 2018)
oddt
Open Drug Discovery Toolkit
patterns
A curated collections of Nextflow implementation patterns -- http://nextflow-io.github.io/patterns/index.html
pretrain-gnns
Strategies for Pre-training Graph Neural Networks
pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
rdkit-scripts
A collection of cheminformatics scripts that use rdkit
scikit-ued
Collection of algorithms and routines for (ultrafast) electron diffraction
the-incredible-pytorch
The Incredible PyTorch: a curated list of tutorials, papers, projects, communities and more relating to PyTorch.
trackviz
Python 2d/3d trajectory visualization library