Locally-Scaled Diffusion Maps, DM-d-MD
☆12May 12, 2016Updated 10 years ago
Alternatives and similar repositories for LSDMap-DM-d-MD
Users that are interested in LSDMap-DM-d-MD are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automatic Mutual Information Noise Omission☆16Oct 8, 2024Updated 2 years ago
- Jupyter Notebook Tutorials for Machine Learning in Chemistry (MLChem)☆20Jan 25, 2026Updated 9 months ago
- BLaDE is a Basic Lambda Dynamics Engine for molecular dynamics based alchemical free energy calculations using multisite lambda dynamics …☆20Updated this week
- Adaptive landscape flattening scripts for MSLD☆20Oct 20, 2026Updated last week
- Software Suite for Advanced General Ensemble Simulations☆94Feb 24, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- this software is not supported anymore. please visit https://github.com/moldyn/FastPCA for the current version.☆13Aug 22, 2017Updated 9 years ago
- parameterizing valid Euclidean distance matrices (EDMs) via neural networks☆19Oct 18, 2019Updated 7 years ago
- OpenMM testbed for constant-pH methodologies.☆26Sep 20, 2021Updated 5 years ago
- Plugin for continuous conformational flexibility analysis containing HEMNMA, StructMap, HEMNMA-3D, TomoFlow, NMMD, and DeepHEMNMA for in …☆10May 19, 2026Updated 5 months ago
- Library for diffusion maps☆52Dec 22, 2021Updated 4 years ago
- Historical dance bibliography☆10Updated this week
- Robust Inference-Time Steering of Protein Diffusion Models via Embedding Optimization☆20Apr 27, 2026Updated 6 months ago
- Finds the committor function, the reactive current, and the transition rate for 2D problems using finite element method on mesh generated…☆11Jun 6, 2023Updated 3 years ago
- A tool for filling C/C++ or Fortran data structures from Lua input tables☆16Aug 20, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A lightweight neural network library using resilient propagation (rprop) for adapting the weights☆11Jul 22, 2014Updated 12 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- Scala flavored useful API in Java☆12Feb 13, 2015Updated 11 years ago
- Code for enumerating and evaluating numerical methods for Langevin dynamics using near-equilibrium estimates of the KL-divergence. Accomp…☆13Mar 28, 2018Updated 8 years ago
- A tool for setting up free energy simulations.☆37Oct 20, 2022Updated 4 years ago
- Functional ANOVA☆29Nov 17, 2014Updated 11 years ago
- R package for fast maximum-likelihood estimation of mixture proportions using SQP.☆11Dec 21, 2023Updated 2 years ago
- A PC emulator☆18Jan 10, 2018Updated 8 years ago
- A deep learning framework for deubiquitnase-substrate interaction identification☆13Jul 31, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A blazing-fast and type-safe STAR file IO powered by Rust☆13Sep 22, 2026Updated last month
- Intel 8080 CPU emulation library☆17Jun 4, 2018Updated 8 years ago
- The Inaugural Flatiron Institute Cryo-EM Heterogeneity Community Challenge☆12Oct 9, 2026Updated 3 weeks ago
- A domain specific language for creating scientific pipelines☆14Oct 23, 2026Updated last week
- ☆11Sep 6, 2019Updated 7 years ago
- R package providing ViennaCL header files☆20May 29, 2019Updated 7 years ago
- A C++ library for the rapid prototyping of Discontinuous Skeletal methods☆17Sep 24, 2026Updated last month
- 🚂 Python API for Emma's Markov Model Algorithms 🚂☆340Sep 11, 2023Updated 3 years ago
- ☆14Jan 28, 2026Updated 9 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆10Sep 16, 2020Updated 6 years ago
- ☆10Jun 28, 2025Updated last year
- algorithms for community detection from n-partite networks☆12May 20, 2020Updated 6 years ago
- Code for implementing the quantum log-likelihood using PennyLane and TensorFlow.☆11Dec 10, 2019Updated 6 years ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated 2 years ago
- ☆10Jul 7, 2017Updated 9 years ago
- Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)☆44May 3, 2020Updated 6 years ago