Distance-based Analysis of DAta-manifolds in python
☆150Jul 1, 2026Updated last month
Alternatives and similar repositories for DADApy
Users that are interested in DADApy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Repository for the DL Course AA 2020-2021 @ DSSC UniTS☆13May 31, 2021Updated 5 years ago
- ☆13Jul 17, 2025Updated last year
- ☆12May 20, 2019Updated 7 years ago
- Quick Uncertainty and Entropy via STructural Similarity☆65Apr 1, 2026Updated 4 months ago
- Descriptors (isometry invariants) of crystals based on geometry.☆42Updated 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.
- Numerical Analysis -- Applied Mathematics☆33Oct 6, 2021Updated 4 years ago
- A python module to plot secondary structure schemes☆26Mar 18, 2026Updated 4 months ago
- ☆14Apr 7, 2023Updated 3 years ago
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆16Updated this week
- Probabilistic Machine Learning course lab @UNITS☆19Jun 16, 2022Updated 4 years ago
- Main repository for METAGUI3☆22Jun 19, 2021Updated 5 years ago
- Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.☆17Updated this week
- An open-source platform for developing protein models beyond AlphaFold.☆11Jul 15, 2025Updated last year
- ☆11Aug 29, 2022Updated 3 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.
- Moment Invariants Local Atomic Descriptor☆35Aug 20, 2024Updated last year
- UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine lear…☆27Updated this week
- ☆14Jun 26, 2026Updated last month
- Prediction of protein melting temperatures directly from sequences☆14Apr 16, 2024Updated 2 years ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆158Jun 27, 2024Updated 2 years ago
- find clusters of different intrinsic dimension☆11Feb 16, 2024Updated 2 years ago
- Hückel model + JAX☆14Oct 13, 2022Updated 3 years ago
- The DPA package is the scikit-learn compatible implementation of the Density Peaks Advanced clustering algorithm. The algorithm provides…☆31Dec 30, 2021Updated 4 years ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆33Jul 28, 2026Updated 2 weeks 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.
- ☆20May 7, 2024Updated 2 years ago
- ☆138May 3, 2026Updated 3 months ago
- A Python package for building nonparametric force fields from machine learning☆16Feb 12, 2020Updated 6 years ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- UF3: a python library for generating ultra-fast interatomic potentials☆72Feb 26, 2026Updated 5 months ago
- PeptoneBench: evaluating protein ensembles across the order-disorder continuum☆22Mar 24, 2026Updated 4 months ago
- Main code repository for the PLUMED-GUI plugin for VMD☆17Jan 22, 2026Updated 6 months ago
- Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.☆11Nov 10, 2022Updated 3 years ago
- Public repository for the R package intRinsic☆13Dec 17, 2025Updated 7 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Yet another Python project template.☆13Sep 13, 2024Updated last year
- aimmd (AI for Molecular Mechanism Discovery) autonomously steers (a large number of) molecular dynamics simulations to efficiently sample…☆23Jul 13, 2026Updated last month
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆107Updated this week
- ☆12Jul 20, 2026Updated 3 weeks ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 3 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago
- ☆13Apr 12, 2018Updated 8 years ago