ankur56 / ChemLoRALinks
☆26Updated 2 years ago
Alternatives and similar repositories for ChemLoRA
Users that are interested in ChemLoRA are comparing it to the libraries listed below
Sorting:
- ☆25Updated 11 months ago
- ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.☆14Updated 2 years ago
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆75Updated 2 years ago
- BayesOpt + LIFT☆74Updated 7 months ago
- Probing the limitations of multimodal language models for chemistry and materials research☆22Updated 3 months ago
- Natural language computational chemistry command line interface.☆46Updated 2 years ago
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12Updated last year
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- Deep Molecular Dreaming☆25Updated last year
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆25Updated last year
- ☆10Updated 6 months ago
- ☆44Updated last year
- InsightGraph: A Visual Journey through Materials Articles☆18Updated 2 years ago
- Mindless molecule generator in a Python package.☆39Updated last month
- Tutorial on LLMs and agents☆29Updated 3 months ago
- Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.☆15Updated 3 months ago
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆32Updated 2 years ago
- HIP: Hessians with Interatomic Potentials☆27Updated this week
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Updated 10 months ago
- Multimodal aid for mining of chemical reactions from PDFs☆32Updated 6 months ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Updated last year
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆88Updated last month
- A brain for self-driving laboratories☆45Updated 7 months ago
- ☆25Updated 5 months ago
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆39Updated 10 months ago
- Helpers for working with pymatgen structure graphs.☆12Updated 11 months ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Updated 3 years ago
- Predicting molecular structure from Infrared (IR) Spectra☆27Updated last year
- Golem: an algorithm for robust experiment and process optimization☆18Updated 4 years ago
- An open-source effort towards accessible polymer data☆41Updated 5 years ago