dario-coscia / blipLinks
This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)
☆28Updated 3 months ago
Alternatives and similar repositories for blip
Users that are interested in blip are comparing it to the libraries listed below
Sorting:
- ☆11Updated last year
- dataset augmentation for atomistic machine learning☆20Updated 4 months ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated last week
- A RL framework for Crystal Structure Generation using GRPO☆23Updated last week
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Updated 7 months ago
- Tools for machine learnt interatomic potentials☆39Updated this week
- ☆29Updated last week
- MACE_Osaka24 models☆21Updated 11 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated last year
- Cross-platform Optimizer for ML Interatomic Potentials☆20Updated 2 months ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆18Updated last year
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Updated last year
- Alchemical machine learning interatomic potentials☆31Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆50Updated last week
- Training Neural Network potentials through customizable routines in JAX.☆54Updated 3 months ago
- python workflow toolkit☆45Updated 2 weeks ago
- ☆17Updated 7 months ago
- ⚛ download and manipulate atomistic datasets☆47Updated last month
- A flexible and performant framework for training machine learning potentials.☆30Updated last week
- A collection of files related to machine learning force fields☆23Updated 2 years ago
- Machine learning interatomic potential for condensed-phase reactive chemistry☆21Updated last year
- ☆27Updated last year
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- ☆21Updated last year
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆78Updated this week
- Moment Invariants Local Atomic Descriptor☆33Updated last year
- Calculation of vibrational spectra with quantum nuclear motion☆12Updated last year
- ☆34Updated last year
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆30Updated 2 weeks ago
- tools for graph-based machine-learning potentials in jax☆25Updated last year