Alternatives and similar repositories for llamat

Users that are interested in llamat are comparing it to the libraries listed below

• LeMaterial / lematerial-hasher
  ☆19Updated 2 weeks ago
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆32Updated 7 months ago
• FERMat-ML / OMatG
  ☆29Updated last month
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆35Updated 7 months ago
• sparks-baird / mat_discover
  A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
  ☆44Updated 10 months ago
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆51Updated 4 months ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆40Updated last year
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆47Updated 10 months ago
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆29Updated 8 months ago
• AIforGreatGood / charge3net
  Higher-order equivariant neural networks for charge density prediction in materials
  ☆59Updated 4 months ago
• yuanqidu / M2Hub
  ☆46Updated 7 months ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆30Updated 10 months ago
• teddykoker / nequip-eqx
  JAX implementation of the NequIP neural network interatomic potential
  ☆11Updated this week
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆62Updated last month
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆37Updated 5 months ago
• eltonpan / zeosyn_gen
  DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning
  ☆13Updated 2 months ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆59Updated 8 months ago
• BlauGroup / HiPRGen
  ☆25Updated 8 months ago
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated 9 months ago
• janosh / dielectrics
  Pushing the Pareto front of band gap and permittivity with ML-guided dielectric materials discovery incl. experimental synthesis and char…
  ☆10Updated last week
• imagdau / Tutorials
  Collection of Tutorials on Machine Learning Interatomic Potentials
  ☆19Updated 11 months ago
• THGLab / NewtonNet
  A Newtonian message passing network for deep learning of interatomic potentials and forces
  ☆44Updated last month
• Ramprasad-Group / ML-DFT
  Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
  ☆21Updated 10 months ago
• sudarshanv01 / coeffnet
  Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.
  ☆10Updated last year
• lamalab-org / chembench-paper
  ☆24Updated 5 months ago
• gomes-lab / Mat2Spec
  ☆28Updated 3 years ago
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆58Updated last week
• materials-data-facility / awesome-bayesian-optimization
  ☆40Updated last year
• THGLab / MLHessian-TSopt
  ☆17Updated 11 months ago