computron / pybliometrics_mlLinks
This repo uses the pybliometrics Python library to generate a list of papers related to materials science machine learning along with their citations for further anaylsis.
☆10Updated 3 months ago
Alternatives and similar repositories for pybliometrics_ml
Users that are interested in pybliometrics_ml are comparing it to the libraries listed below
Sorting:
- Multipurpose ab initio MD program.☆9Updated 2 weeks ago
- ☆42Updated 2 months ago
- ☆11Updated 9 months ago
- Core components of the pyiron integrated development environment (IDE) for computational materials science☆21Updated this week
- Registry for BIG-MAP apps and codes. Find the apps☆10Updated this week
- Coarse grain to atomistic molecular coordinate and topology converter☆13Updated 2 months ago
- ☆11Updated 2 weeks ago
- Python program for aggregation and reaction☆21Updated 7 months ago
- Graph Learning over Macromolecule Representations☆21Updated 2 years ago
- molecular point group symmetry lib☆11Updated 5 months ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆11Updated last year
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆11Updated this week
- Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web…☆20Updated last year
- Teaching Utility for Classical Atomistic Simulation.☆30Updated 9 months ago
- Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.☆11Updated last year
- CBE 504 at Princeton☆16Updated last month
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated last year
- A JupyterLab launcher extension to view the molecular orbitals.☆18Updated 8 months ago
- Spring 2024 - Data Science and Machine Learning in Chemical Engineering☆11Updated last year
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆33Updated this week
- Tools related to X-ray absorption spectroscopy (XAS)☆19Updated 10 months ago
- ☆15Updated this week
- Depiction of Potential Energy Surfaces☆12Updated 7 months ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated last week
- Python code for Hückel and Pariser-Parr-Pople molecular orbital theory☆15Updated last year
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆21Updated 2 years ago
- NMR Chemical Shifts from Molecular Dynamics Simulation☆12Updated 3 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆12Updated 6 months ago
- Molecular frequency-dependent response properties for arbitrary operators☆11Updated last week
- Automated DFT Input File Generator using wxDragon☆14Updated last year