iribirii / icons-for-chemistsLinks
☆13Updated last year
Alternatives and similar repositories for icons-for-chemists
Users that are interested in icons-for-chemists are comparing it to the libraries listed below
Sorting:
- ☆23Updated 2 weeks ago
- ☆24Updated 7 months ago
- ☆17Updated 7 months ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆33Updated last year
- ☆13Updated 2 months ago
- Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geomet…☆23Updated last month
- Development of High-Throughput Polymer Network Atomistic Simulation☆22Updated 6 months ago
- Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm☆10Updated 10 months ago
- a curated list of resources for everyone interested in learning about digital chemistry☆24Updated last week
- ☆29Updated last year
- QM-based enzyme model generation and validation.☆13Updated 9 months ago
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆34Updated 3 weeks ago
- Automated calculation of cavity in molecular cages☆20Updated 2 months ago
- ☆20Updated 3 months ago
- This is the repository corresponding to the TS-tools project.☆23Updated 2 months ago
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆56Updated 5 months ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆33Updated 2 years ago
- Standalone charge assignment from Espaloma framework.☆39Updated 10 months ago
- Simple User-Friendly Reaction Format☆17Updated 7 months ago
- Quick and dirty protonation☆16Updated 2 years ago
- This repository gathers the SchNet4AIM code along with some instructions and readme files.☆13Updated last year
- Partial Charge assignment for Molecular Dynamics☆20Updated 3 months ago
- rule-based virtual polymer library generator☆36Updated last week
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆19Updated 2 years ago
- Repository for the tmQMg dataset files and analysis scripts.☆13Updated this week
- Machine Learning model for molecular micro-pKa prediction☆41Updated 8 months ago
- A package for all physics based/related models☆51Updated 8 months ago
- An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials☆16Updated 7 months ago
- ☆27Updated last year