rxn4chemistry / rxn-ir-to-structureLinks
Predicting molecular structure from Infrared (IR) Spectra
☆22Updated last year
Alternatives and similar repositories for rxn-ir-to-structure
Users that are interested in rxn-ir-to-structure are comparing it to the libraries listed below
Sorting:
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆76Updated 3 weeks ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆98Updated last year
- Language-interfaced fine-tuning for chemistry☆42Updated last year
- Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint☆34Updated 10 months ago
- ☆25Updated 11 months ago
- This is the repository corresponding to the TS-tools project.☆23Updated 3 months ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆30Updated 10 months ago
- a curated list of resources for everyone interested in learning about digital chemistry☆25Updated last month
- rule-based virtual polymer library generator☆41Updated 2 weeks ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆27Updated last year
- An Integrated VMD Graphical User Interface for Molecular Packing☆22Updated 6 months ago
- ☆26Updated last year
- Prediction molecular structure from NMR spectra☆34Updated last year
- Chemist AI Agent for Rational Inverse Design of Materials☆35Updated 4 months ago
- Python program for modelling and simulating polymers.☆38Updated 3 weeks ago
- ☆50Updated 10 months ago
- This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accur…☆22Updated 9 months ago