A quantitative benchmark and analysis of molecular large language models.
☆18Jun 3, 2025Updated 9 months ago
Alternatives and similar repositories for SLM4Mol
Users that are interested in SLM4Mol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Atom-in-SMILES tokenizer for SMILES strings.☆42Jul 29, 2024Updated last year
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- ☆15Dec 4, 2023Updated 2 years ago
- Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"☆39Jul 14, 2023Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆36Oct 22, 2025Updated 5 months ago
- This repository contains information on the creation, evaluation, and benchmark models for the L+M-24 Dataset. L+M-24 will be featured as…☆30Jan 23, 2025Updated last year
- A deep reinforcement learning library for conformer generation.☆20Apr 15, 2024Updated last year
- ☆10Apr 20, 2022Updated 3 years ago
- Large Language Models in Molecular Embeddings☆12May 1, 2024Updated last year
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆53Dec 16, 2022Updated 3 years ago
- ☆36Dec 2, 2025Updated 3 months ago
- Repository for the code associated with the paper Impact of applicability domains by Maxime Langevin et al.☆13Feb 19, 2025Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆27Jun 30, 2025Updated 9 months ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Aug 5, 2025Updated 7 months ago
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆28Nov 28, 2024Updated last year
- ☆14Jun 4, 2021Updated 4 years ago
- ☆14Apr 15, 2024Updated last year
- ☆13Oct 9, 2024Updated last year
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Jan 28, 2024Updated 2 years ago
- ☆23Jan 17, 2026Updated 2 months ago
- screenlamp is a Python toolkit for hypothesis-driven virtual screening☆24Mar 19, 2018Updated 8 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 6 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆11Updated this week
- ☆24Jun 23, 2021Updated 4 years ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆63Dec 17, 2025Updated 3 months ago
- Fine-tuning Galactica and Gemma to operate on SMILES. Integrates into a molecular optimization algorithm.☆36Feb 20, 2025Updated last year
- RDKit Tools for the IPython Notebook☆46Oct 16, 2018Updated 7 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆71Dec 8, 2023Updated 2 years ago
- ☆11Jan 8, 2024Updated 2 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Feb 27, 2022Updated 4 years ago
- Few-shot machine learning for low-data drug discovery.☆19Jun 24, 2022Updated 3 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- ☆14Apr 16, 2024Updated last year
- Bokeh extensions to plot molecules easily☆10Jul 14, 2025Updated 8 months ago
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆28Apr 25, 2025Updated 11 months ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Aug 18, 2024Updated last year
- ⚗️ An all-in-one solution for chemical property retrieval from PubChem.☆29Dec 19, 2025Updated 3 months ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 4 years ago