dario-coscia / blipLinks
This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)
☆29Updated 4 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
- Tools for machine learnt interatomic potentials☆41Updated 2 weeks ago
- dataset augmentation for atomistic machine learning☆21Updated last month
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated last year
- ☆34Updated 2 weeks ago
- Alchemical machine learning interatomic potentials☆32Updated last year
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Updated 8 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆54Updated last week
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated this week
- Cross-platform Optimizer for ML Interatomic Potentials☆21Updated 4 months ago
- MACE_Osaka24 models☆24Updated last year
- ☆21Updated last year
- A molecular simulation package integrating MLFFs in MOFs for DAC☆41Updated 2 months ago
- ☆34Updated last year
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Updated last year
- Reproduction of CGCNN for predicting material properties☆23Updated 2 weeks ago
- A RL framework for Crystal Structure Generation using GRPO☆36Updated last week
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆20Updated last year
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆54Updated last month
- ⚛ download and manipulate atomistic datasets☆48Updated last month
- Calculation of vibrational spectra with quantum nuclear motion☆12Updated last year
- python workflow toolkit☆45Updated last week
- A collection of files related to machine learning force fields☆23Updated 2 years ago
- ☆15Updated 2 years ago
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, under proof)☆16Updated last week
- ☆33Updated 2 weeks ago
- Use time-splits for Materials Project entries for generative modeling benchmarking.