jkitchin / literature-alertsLinks
☆12Updated last month
Alternatives and similar repositories for literature-alerts
Users that are interested in literature-alerts are comparing it to the libraries listed below
Sorting:
- A literature database☆70Updated 2 weeks ago
- Python script to lookup pKa values☆26Updated 3 months ago
- VMD Audio/Text control with natural language☆19Updated 4 years ago
- ☆13Updated last week
- pdb-mode is an emacs-lisp minor mode for Emacs to perform a number of useful editing functions on Protein DataBank (PDB) formatted files.…☆13Updated 3 years ago
- Python code for Hückel and Pariser-Parr-Pople molecular orbital theory☆15Updated 2 years ago
- Plots absorption spectra from from ORCA output files☆20Updated last year
- Hückel model + JAX☆13Updated 3 years ago
- MaxEnt code for fitting simulation outcomes/statistical models to observations☆16Updated 3 years ago
- A brain for self-driving laboratories☆45Updated 6 months ago
- Experimental design and Bayesian optimization library in Python/PyTorch☆55Updated last year
- Notebooks for NYU Statistical Mechanics☆20Updated 2 years ago
- A Python toolbox to work with molecular similarity☆43Updated 3 months ago
- ☆14Updated last year
- ☆11Updated last year
- kinetic isotope effect prediction with Gaussian☆16Updated 2 years ago
- Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration☆21Updated 3 months ago
- molecular point group symmetry lib☆13Updated last year
- Run OpenMM with forces provided by any Python program☆37Updated 11 months ago
- Molecular Property Prediction using GP with a SOAP kernel☆21Updated 5 years ago
- A validating SMILES parser, with support for incomplete SMILES☆29Updated 10 months ago
- Lab policies, training, style guides, etc.☆34Updated this week
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- Probing the limitations of multimodal language models for chemistry and materials research☆20Updated 2 months ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Updated last year
- A repository for physico-chemical data extracted from the NIST Chemistry WebBook☆13Updated 4 months ago
- Documenting a subset of the SMILES language.☆13Updated 3 years ago
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago
- Script to facilitate the making of horizontal scripts☆18Updated last year
- Strain Visualization for Inherently Strained Organic Molecules☆23Updated 2 years ago