☆45Jan 8, 2026Updated 3 months ago
Alternatives and similar repositories for fep_tutorial
Users that are interested in fep_tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Jul 17, 2025Updated 8 months ago
- Fast protein backbone flexibility prediction model☆35Jan 4, 2026Updated 3 months ago
- One protein is all you need (ICLR 2026)☆101Mar 22, 2026Updated 2 weeks ago
- orbital MCMC☆10Jun 17, 2021Updated 4 years ago
- ☆21Jun 15, 2021Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆24Jul 21, 2024Updated last year
- Implementation of the article Online Structured Laplace Approximations For Overcoming Catastrophic Forgetting (https://arxiv.org/pdf/1805…☆10Feb 1, 2019Updated 7 years ago
- Interactive tutorials for the PIMD Massive Open Online Course☆24Aug 2, 2023Updated 2 years ago
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆28Dec 5, 2025Updated 4 months ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆21Oct 26, 2025Updated 5 months ago
- ☆11Nov 22, 2024Updated last year
- Scripts, codes, and initial structures required to reproduce the phase diagram of monolayer nanoconfined water.☆12Aug 1, 2023Updated 2 years ago
- How to make images for publication using VMD☆43May 5, 2021Updated 4 years ago
- ☆13Jul 18, 2025Updated 8 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆178Sep 19, 2025Updated 6 months ago
- Website☆12Mar 22, 2026Updated 2 weeks ago
- Molecular Dynamics for Experimentalists☆65Nov 18, 2025Updated 4 months ago
- This repo contains code for creating a Birds Classifier and an API where the user can upload a birds image and gets the according species…☆11Sep 18, 2022Updated 3 years ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- ☆14Sep 19, 2016Updated 9 years ago
- ☆11Nov 17, 2023Updated 2 years ago
- Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation☆19Oct 31, 2025Updated 5 months ago
- Data files and scripts for the ASU PHY494 class. Will be updated as we go along.☆10Jan 6, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Printing text using protein structures☆14Aug 9, 2021Updated 4 years ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 5 months ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated 9 months ago
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 2 months ago
- Calculation of vibrational spectra with quantum nuclear motion☆12Sep 18, 2024Updated last year
- Improved antibody structure-based design using inverse folding☆157Dec 9, 2025Updated 4 months ago
- Code repository of the paper "BooVAE: Boosting Approach for Continual Learning of VAE" published at NeurIPS 2021. https://arxiv.org/abs/1…☆13Oct 18, 2021Updated 4 years ago
- Educational Notes on Molecular Modeling☆13Nov 19, 2020Updated 5 years ago
- Constant pH simulation with OpenMM☆19Mar 10, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Microbiome conferences and scientific meetings.☆30Mar 31, 2026Updated last week
- Stytch B2B App Demo using pre-built UI components in Astro, React + Node.js backend☆11Mar 12, 2026Updated 3 weeks ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆19Mar 31, 2021Updated 5 years ago
- Python package for efficient analysis of HILLS files generated by Plumed metadynamics simulations. Inspired by the Metadynminer package f…☆21Feb 2, 2026Updated 2 months ago
- PREVENT: PRotein Engineering by Variational frEe eNergy approximaTion☆13Jul 4, 2024Updated last year
- Python implementation of Underdamped Langevin Inference, a method to infer the dynamical equation of underdamped stochastic systems from …☆17Jun 20, 2025Updated 9 months ago
- ☆16Apr 1, 2023Updated 3 years ago