Pinned Repositories
cibuildwheel
🎡 Build Python wheels for all the platforms with minimal configuration.
cider
PyTorch implementation of CIDER (How to exploit hyperspherical embeddings for out-of-distribution detection), ICLR 2023
concept
COsmological N-body CodE in PyThon
cs762_project-1
deeptime
Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
gym
A toolkit for developing and comparing reinforcement learning algorithms.
msmbuilder2022
Statistical models for biomolecular dynamics
graphvampnets
GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collective variables of the self-assembly processes.
ts-dart
TS-DART identifies transition states of protein conformational changes from MD simulations using hyperspherical embeddings in the latent space.
bojunliu0818's Repositories
bojunliu0818/gym
A toolkit for developing and comparing reinforcement learning algorithms.
bojunliu0818/cibuildwheel
🎡 Build Python wheels for all the platforms with minimal configuration.
bojunliu0818/cider
PyTorch implementation of CIDER (How to exploit hyperspherical embeddings for out-of-distribution detection), ICLR 2023
bojunliu0818/concept
COsmological N-body CodE in PyThon
bojunliu0818/cs762_project-1
bojunliu0818/deeptime
Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation
bojunliu0818/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
bojunliu0818/diffusers
🤗 Diffusers: State-of-the-art diffusion models for image and audio generation in PyTorch
bojunliu0818/e3nn
A modular framework for neural networks with Euclidean symmetry
bojunliu0818/freefem-intro
Codes and materials for the "Introduction to finite element using FreeFEM" series.
bojunliu0818/graphvampnets-1
GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collective variables of the self-assembly processes.
bojunliu0818/guided-diffusion
bojunliu0818/ivampnets
bojunliu0818/LSTM-predict-MD
Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network
bojunliu0818/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
bojunliu0818/mdtraj
An open library for the analysis of molecular dynamics trajectories
bojunliu0818/memnets-public
bojunliu0818/msmbuilder2022
bojunliu0818/msmbuilder2022-test
Statistical models for biomolecular dynamics
bojunliu0818/pandas
Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more
bojunliu0818/papers_for_protein_design_using_DL
List of papers about Proteins Design using Deep Learning
bojunliu0818/pyhmc
Hamiltonain Monte Carlo in Python
bojunliu0818/scikit_tt
Tensor Train Toolbox
bojunliu0818/stable-diffusion
A latent text-to-image diffusion model
bojunliu0818/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
bojunliu0818/testmsm
testmsm is copied from msmbuilder-3.8.0. And make changes on it.
bojunliu0818/testmsm-feedstock
A conda-smithy repository for testmsm.
bojunliu0818/ts-dart-doc
TS-DART identifies transition states of protein conformational changes from MD simulations using hyperspherical embeddings in the latent space.
bojunliu0818/vde
Variational Autoencoder for Dimensionality Reduction of Time-Series
bojunliu0818/vision_transformer