Olllom

Olllom's Stars

• alekepd/vlstore

  Tools for loading variable sized records from disk

  Language:Python3

• lettucecfd/lettuce

  Computational Fluid Dynamics based on PyTorch and the Lattice Boltzmann Method

  Language:Python18234

• ebekkers/ponita

  Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space.

  Language:Python675

• HypothesisWorks/hypothesis

  Hypothesis is a powerful, flexible, and easy to use library for property-based testing.

  Language:Python7.4k578

• luigibonati/mlcolvar

  A unified framework for machine learning collective variables for enhanced sampling simulations

  Language:Python8722

• microsoft/Graphormer

  Graphormer is a general-purpose deep learning backbone for molecular modeling.

  Language:Python2k324

• chaitjo/geometric-gnn-dojo

  Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

  Language:Jupyter Notebook44342

• google-research/tuning_playbook

  A playbook for systematically maximizing the performance of deep learning models.

  25.8k2.2k

• ACEsuit/mace

  MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

  Language:Python413157

• aspuru-guzik-group/selfies

  Robust representation of semantically constrained graphs, in particular for molecules in chemistry

  Language:Python628123

• patrick-kidger/torchcubicspline

  Interpolating natural cubic splines. Includes batching, GPU support, support for missing values, evaluating derivatives of the spline, and backpropagation.

  Language:Python19918

• noegroup/bgmol

  Molecular mechanics systems and simulation data

  Language:Python135

• deeptime-ml/deeptime

  Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation

  Language:Python72579

• alanyu19/fflip

  Language:Rich Text Format22

• mcocdawc/chemcoord

  A python module for manipulating cartesian and internal coordinates.

  Language:Python7018

• aiqm/torchani

  Accurate Neural Network Potential on PyTorch

  Language:Python442125

• kamenbliznashki/normalizing_flows

  Pytorch implementations of density estimation algorithms: BNAF, Glow, MAF, RealNVP, planar flows

  Language:Python595101

• deepqmc/deepqmc

  Deep learning quantum Monte Carlo for electrons in real space

  Language:Python32959

• bayesiains/nsf

  Code for Neural Spline Flows paper

  Language:Python25342

• jhjacobsen/invertible-resnet

  Official Code for Invertible Residual Networks

  Language:Python51578

• openmm/openmm

  OpenMM is a toolkit for molecular simulation using high performance GPU code.

  Language:C++1.4k505

• markovmodel/mdshare

  Get access to our MD data files.

  Language:Python255

• conda-forge/pyworkdir-feedstock

  A conda-smithy repository for pyworkdir.

  22

• conda-forge/jump-feedstock

  A conda-smithy repository for jump.

  12