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A good, simple outliner for macOS, iPadOS, and iOS.
Merlion: A Machine Learning Framework for Time Series Intelligence
Tool for producing high quality forecasts for time series data that has multiple seasonality with linear or non-linear growth.
Kats, a kit to analyze time series data, a lightweight, easy-to-use, generalizable, and extendable framework to perform time series analysis, from understanding the key statistics and characteristi…
A place for the development version of the changepoint package on CRAN.
fast implementation of singular spectrum transformation (change point detection algorithm)
p5 is a Python package based on the core ideas of Processing.
Official repository for the Boltz-1 biomolecular interaction model
Algorithms for various Network Layouts and Tooling for planning FE Calculations
This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration free energies or ligand binding free energies.
Boltzmann Generators and Normalizing Flows in PyTorch
This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
This package contains tools for setting up hybrid-topology FE calculations
Scripts to perform alchemical ABFE in OpenMM
Automated Adaptive Absolute alchemical Free Energy calculator
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
R Package for Calculating Healthy Eating Index-2020 (HEI2020), Alternative Healthy Eating Index (AHEI), Dietary Approaches to Stop Hypertension (DASH), Mediterranean Diet (MED), Dietary Inflammatio…
Fusion models for Atomic and molecular STructures (FAST)
Safari web extension for DeepL translate.
Neural relational inference for interacting systems - pytorch
Neural relational inference for molecular dynamics simulations