Large Language Models in Molecular Embeddings
☆12May 1, 2024Updated last year
Alternatives and similar repositories for LLaMA-VS-GPT
Users that are interested in LLaMA-VS-GPT are comparing it to the libraries listed below
Sorting:
- ☆26Sep 9, 2025Updated 5 months ago
- ☆12Oct 21, 2024Updated last year
- ☆14Mar 28, 2019Updated 6 years ago
- ☆14Mar 2, 2023Updated 3 years ago
- ☆18Aug 5, 2023Updated 2 years ago
- ☆17Mar 23, 2021Updated 4 years ago
- ☆21Jul 25, 2024Updated last year
- A quantitative benchmark and analysis of molecular large language models.☆18Jun 3, 2025Updated 9 months ago
- ☆23Sep 27, 2024Updated last year
- substructure search in large combinatorial spaces using openchemlib☆23Feb 25, 2026Updated last week
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Jul 26, 2023Updated 2 years ago
- Predictive Chemistry Augmented with Text Retrieval☆24Feb 20, 2024Updated 2 years ago
- Pipeline for automated extraction of chemical property information from scientific documents☆20Sep 14, 2018Updated 7 years ago
- ☆26Apr 14, 2024Updated last year
- ☆31Jan 20, 2026Updated last month
- Autoregressive fragment-based diffusion for target-aware ligand design☆32May 23, 2024Updated last year
- ☆25Jan 30, 2025Updated last year
- Chemprop benchmarking scripts and data for v1☆31Jun 4, 2024Updated last year
- ☆29Jan 16, 2026Updated last month
- Repository for AAAI 2024 paper "MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts"☆23Apr 20, 2024Updated last year
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆66Feb 22, 2024Updated 2 years ago
- ☆31Aug 28, 2025Updated 6 months ago
- Tools to train synthesis prediction models☆29Feb 11, 2026Updated 3 weeks ago
- ☆39Sep 24, 2025Updated 5 months ago
- PIGNet source code☆55Feb 13, 2022Updated 4 years ago
- ☆11Oct 7, 2025Updated 4 months ago
- DOSY processing☆10Mar 11, 2022Updated 3 years ago
- Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…☆36Nov 14, 2024Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆33Aug 9, 2021Updated 4 years ago
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆76Oct 23, 2023Updated 2 years ago
- ☆40Apr 10, 2025Updated 10 months ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Oct 17, 2023Updated 2 years ago
- Contrastive learning harmonizing protein language models and natural language models☆39Jun 12, 2024Updated last year
- ☆32May 30, 2023Updated 2 years ago
- ☆40Jun 3, 2025Updated 9 months ago
- Benchmarking of 1D pattern classification networks☆10Jul 19, 2023Updated 2 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- A framework that predicts the molecular structure when given Infrared and 13C Nuclear magnetic resonance spectra without referring to any…☆10Jan 17, 2024Updated 2 years ago
- Python package for automatically superimposing data sets to create a master curve, using Gaussian process regression and maximum a poster…☆12Feb 20, 2023Updated 3 years ago