computron / pybliometrics_ml
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 last month
Alternatives and similar repositories for pybliometrics_ml:
Users that are interested in pybliometrics_ml are comparing it to the libraries listed below
- ☆38Updated this week
- Multipurpose ab initio MD program.☆10Updated 3 weeks ago
- ☆11Updated 7 months ago
- Python program for aggregation and reaction☆21Updated 5 months ago
- Depiction of Potential Energy Surfaces☆11Updated 5 months ago
- Implementation of the UNIFAC model☆10Updated 4 years ago
- Electronegativity equilibration model for atomic partial charges☆15Updated last week
- An open-source, online textbook introducing Python programming to chemistry students☆24Updated 4 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 4 months ago
- Tools to facilitate NLP of scientific literature☆16Updated 3 years ago
- Jupyter Book source files for MSD summer research internship.☆15Updated last year
- Molecular frequency-dependent response properties for arbitrary operators☆11Updated this week
- A template for Python packages. Developed by the @quantum-accelerators☆15Updated this week
- Jupyter Book source files for 2022 MSD summer research internship.☆12Updated last year
- ☆13Updated 10 months ago
- NMR Chemical Shifts from Molecular Dynamics Simulation☆12Updated 3 years ago
- Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web…☆19Updated 11 months ago
- Tools related to X-ray absorption spectroscopy (XAS)☆18Updated 8 months ago
- Collection of tools for computational chemists working in computer-aided drug design.☆17Updated this week
- kinetic isotope effect prediction with Gaussian☆15Updated 2 years ago
- 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 3 weeks ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated 7 months ago
- Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.☆11Updated 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
- Python program for modelling and simulating polymers.☆33Updated 2 weeks ago
- rNets: A standalone package to visualize reaction networks☆15Updated 5 months ago
- Covalent plugin for HPC batch job schedulers (e.g. Slurm, PBS, LSF, Flux, Cobalt) built around PSI/J☆9Updated 4 months ago
- VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectros…☆13Updated this week
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated 11 months ago