Alternatives and similar repositories for zeosyn_dataset:

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

• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆66Updated this week
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆25Updated 4 months ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆33Updated this week
• killiansheriff / ChemicalMotifIdentifier
  A Python package to perform a chemical motif characterization of short-range order.
  ☆18Updated 4 months ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆28Updated 9 months ago
• zhaoqy1996 / YARP
  ☆39Updated 2 years ago
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆18Updated 2 weeks ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆68Updated 2 years ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆34Updated 7 months ago
• materials-data-facility / matchem-llm
  A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications
  ☆87Updated 6 months ago
• general-molecular-simulations / so3lr
  SO3krates and Universal Pairwise Force Field for Molecular Simulation
  ☆71Updated 2 months ago
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆33Updated 6 months ago
• Arif-PhyChem / datasets_and_databases_4_MLPs
  ☆47Updated 3 weeks ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆59Updated 3 weeks ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆48Updated 8 months ago
• LopezGroup-ICIQ / care
  Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the fast estimation of the …
  ☆23Updated this week
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆66Updated 3 weeks ago
• atomistic-machine-learning / schnetpack-gschnet
  G-SchNet extension for SchNetPack
  ☆52Updated 2 months ago
• PV-Lab / FTCP
  FTCP code
  ☆32Updated last year
• cc-ats / mlp_tutorial
  ☆25Updated last year
• Matgen-project / MOFNet
  Deep learning model for predicting adsorption isotherms of MOFs
  ☆13Updated 2 years ago
• kjappelbaum / mofchecker
  Basic sanity checks for MOFs.
  ☆23Updated last year
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆43Updated 4 months ago
• RUIMINMA1996 / PI1M
  A benchmark dataset for polymer informatics.
  ☆58Updated 3 years ago
• zhenpengyao / Supramolecular_VAE
  ☆31Updated 4 years ago
• nigalanakis / Crystal_Math
  Algorithms to analyze and predict molecular structures
  ☆14Updated 4 months ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆25Updated last year
• mir-group / pair_allegro
  LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
  ☆40Updated 2 months ago
• manny405 / mcse
  Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures
  ☆14Updated 2 years ago
• kyonofx / scdp
  [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"
  ☆16Updated last month