☆47Jan 8, 2026Updated 5 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 11 months ago
- Fast protein backbone flexibility prediction model☆35Jan 4, 2026Updated 5 months ago
- ☆26Aug 18, 2025Updated 10 months ago
- One protein is all you need (ICLR 2026)☆113Apr 22, 2026Updated 2 months ago
- orbital MCMC☆10Jun 17, 2021Updated 5 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆22Jun 15, 2021Updated 5 years ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆26Jul 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☆35Apr 10, 2026Updated 2 months ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆21Oct 26, 2025Updated 8 months ago
- ☆11Nov 22, 2024Updated last year
- Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs☆36Feb 9, 2026Updated 4 months ago
- ☆13Jul 18, 2025Updated 11 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Website☆12Jun 21, 2026Updated last week
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆181Sep 19, 2025Updated 9 months ago
- Atomic Charge Calculator III (ACC III) is an application for fast calculation of partial atomic charges.☆16Jun 23, 2026Updated last week
- How to make images for publication using VMD☆46May 5, 2021Updated 5 years 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
- Molecular Dynamics for Experimentalists☆70Apr 17, 2026Updated 2 months ago
- Public material for Cornell CS 4220, Spring 2020☆17May 12, 2020Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆12Nov 17, 2023Updated 2 years ago
- Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation☆20May 5, 2026Updated last month
- ☆50Sep 5, 2024Updated last year
- Data files and scripts for the ASU PHY494 class. Will be updated as we go along.☆10Jan 6, 2022Updated 4 years ago
- 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 8 months ago
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 4 months ago
- Machine Learning tools for Coarse Graining☆32Jun 19, 2026Updated last week
- Calculation of vibrational spectra with quantum nuclear motion☆12Sep 18, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- 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
- Improved antibody structure-based design using inverse folding☆166Dec 9, 2025Updated 6 months ago
- Microbiome conferences and scientific meetings.☆30May 4, 2026Updated last month
- Python package for efficient analysis of HILLS files generated by Plumed metadynamics simulations. Inspired by the Metadynminer package f…☆22Feb 2, 2026Updated 4 months ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆19Mar 31, 2021Updated 5 years ago
- Computing the Committor with the Committor: an Anatomy of the Transition State Ensemble☆14Jul 12, 2024Updated last year