AI4Science group, FU Berlin (Frank Noé and co-workers)

Pinned Repositories

bgflow
Boltzmann Generators and Normalizing Flows in PyTorch
Language:Jupyter Notebook151 5 2438
bgmol
Molecular mechanics systems and simulation data
Language:Python15 2 56
deeplearning-lecture-21
Public course material for the deep learning lecture (summer 2021)
Language:Jupyter Notebook8 7 08
EDMnets
parameterizing valid Euclidean distance matrices (EDMs) via neural networks
Language:Python19 7 23
flowm
Flow-matching for coarse graining of miniproteins.
Language:Python15 3 12
paper_boltzmann_generators
Language:Jupyter Notebook85 8 532
project_boltzmann_generators
Language:Jupyter Notebook8 7 11
reform
A simple implementation of replica exchange MD simulations for OpenMM.
Language:Python22 2 22
rigid-flows
Language:Jupyter Notebook10 3 41
stochastic_normalizing_flows
Stochastic Normalizing Flows
Language:Jupyter Notebook73 5 211

AI4Science group, FU Berlin (Frank Noé and co-workers)'s Repositories

noegroup/bgflow
Boltzmann Generators and Normalizing Flows in PyTorch
Language:Jupyter Notebook151 5 2438
noegroup/paper_boltzmann_generators
Language:Jupyter Notebook85 8 532
noegroup/stochastic_normalizing_flows
Stochastic Normalizing Flows
Language:Jupyter Notebook73 5 211
noegroup/reform
A simple implementation of replica exchange MD simulations for OpenMM.
Language:Python22 2 22
noegroup/EDMnets
parameterizing valid Euclidean distance matrices (EDMs) via neural networks
Language:Python19 7 23
noegroup/bgmol
Molecular mechanics systems and simulation data
Language:Python15 2 56
noegroup/flowm
Flow-matching for coarse graining of miniproteins.
Language:Python15 3 12
noegroup/rigid-flows
Language:Jupyter Notebook10 3 41
noegroup/deeplearning-lecture-21
Public course material for the deep learning lecture (summer 2021)
Language:Jupyter Notebook8 7 08
noegroup/project_boltzmann_generators
Language:Jupyter Notebook8 7 11
noegroup/aggforce-legacy
Mapping forces for bottom-up molecular coarse-graining
Language:Python7 2 03
noegroup/membrane_kinetics
Software for calculation of anisotropic diffusion tensors and first-principle hydrodynamics of coarse-grained membrane models
Language:Jupyter Notebook6 6 00
noegroup/aggforce
Force aggregation code aimed at coarse-grained molecular dynamics
Language:Python4 4 01
noegroup/dlqmc-project
Language:Jupyter Notebook4 3 01
noegroup/SATRAM
Language:Python4 4 01
noegroup/deep_sxt
Software for deep learning-based segmentation and reconstruction of cryo-soft x-ray tomograms
Language:Python2 4 00
noegroup/nmjmc
Language:Jupyter Notebook1 5 00
noegroup/smooth_normalizing_flows
Supplementary Material for the Smooth Normalizing Flow paper.
Language:Jupyter Notebook1 2 0
noegroup/tmprss2_structures
Language:Python1 1 00
noegroup/two_peptides
Simulations of two peptides in solution
Language:Jupyter Notebook1 3 02
noegroup/deep_nanobarcode
Software for deep-learning-based identification of protein nanobarcodes in fluorescence microscopy images
Language:Jupyter Notebook0 4 00
noegroup/flox
Language:Jupyter Notebook4 1
noegroup/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Language:Python1 0
noegroup/submitit
Python 3.8+ toolbox for submitting jobs to Slurm
Language:Python0 0
noegroup/torchmd-autodiff
An example to demonstrate autograd in torchmd.
Language:Jupyter Notebook7 06