TS-DAR identifies transition states of protein conformational changes from MD simulations using hyperspherical embeddings in the latent space.
☆21May 15, 2026Updated 3 months ago
Alternatives and similar repositories for ts-dar
Users that are interested in ts-dar are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collectiv…☆13Feb 20, 2024Updated 2 years ago
- Statistical models for biomolecular dynamics☆44May 8, 2025Updated last year
- A tool for the analysis of pathways sampled in molecular dynamics simulations based on Self-Organizing Maps (SOM)☆10Jan 26, 2022Updated 4 years ago
- Deep Boosted Molecular Dynamics☆13Aug 27, 2024Updated 2 years ago
- Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.☆27Aug 15, 2024Updated 2 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.
- Kincore-Standalone2 - Python3 code for calculating the conformational state of typical protein kinases☆18Sep 18, 2023Updated 2 years ago
- ☆14May 13, 2020Updated 6 years ago
- ☆15Apr 7, 2022Updated 4 years ago
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year
- ☆17Oct 30, 2023Updated 2 years ago
- Code of "Differentiable Protein Engineering through using Diffusion Transformer over ProTokens"☆21Apr 29, 2025Updated last year
- PRISM (Protein Receptor Interaction Simulation Modeler) is a comprehensive tool for building protein-ligand systems for molecular simulat…☆30Updated this week
- Copernicus☆18Oct 27, 2017Updated 8 years ago
- 🎈 Structure-aware adapter fine-tuning PLMs, with high training speed and impressive performance (Journal of Chemical Information and Mod…☆27May 16, 2025Updated last year
- 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.
- ☆34Updated this week
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- Correlation-based feature selection of Molecular Dynamics simulations☆29Aug 18, 2026Updated last week
- Density based object completion over PBC.☆33Apr 23, 2026Updated 4 months ago
- Clustering tool for biomolecular structural ensembles and data in general.☆10Aug 24, 2020Updated 6 years ago
- ☆32Feb 24, 2022Updated 4 years ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆153Feb 12, 2025Updated last year
- protein conformational spaces meet machine learning☆52Updated this week
- A versatile and interactive package for solving crystal structures from powder diffraction data☆14Updated this week
- 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.
- ☆15Apr 17, 2025Updated last year
- command line viewer for molecular dynamics simulations☆31Jul 8, 2026Updated last month
- aimmd (AI for Molecular Mechanism Discovery) autonomously steers (a large number of) molecular dynamics simulations to efficiently sample…☆23Jul 13, 2026Updated last month
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆63Aug 5, 2026Updated 3 weeks ago
- Helper function for Markov State Models☆11Jun 25, 2024Updated 2 years ago
- Code for reviewers☆12Oct 8, 2024Updated last year
- ☆14Jun 4, 2024Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆35Mar 29, 2024Updated 2 years ago
- ☆32Jun 16, 2025Updated last year
- 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.
- ICML-2025 (Spotlight) "From Weight-Based to State-Based Fine-Tuning: Further Memory Reduction on LoRA with Parallel Control"☆15May 7, 2026Updated 3 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆102Aug 10, 2026Updated 3 weeks ago
- USC's Introduction to Health Data Science☆18Updated this week
- Python Tools for NAMD☆24May 7, 2025Updated last year
- Analyze correlated motions in MD trajectories with only a few lines of Python.☆33Jan 17, 2018Updated 8 years ago
- ☆34May 31, 2023Updated 3 years ago
- repository associated to our pipeline for lipid dynamics☆15Jun 17, 2024Updated 2 years ago