Fine-tuning Galactica and Gemma to operate on SMILES. Integrates into a molecular optimization algorithm.
☆36Feb 20, 2025Updated last year
Alternatives and similar repositories for ChemLactica
Users that are interested in ChemLactica are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Jan 28, 2024Updated 2 years ago
- ☆12Mar 15, 2026Updated 2 weeks ago
- A Molecular Benchmark for Disease and Target Based Machine Learning☆24Feb 9, 2022Updated 4 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆45Apr 22, 2023Updated 2 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- A quantitative benchmark and analysis of molecular large language models.☆18Jun 3, 2025Updated 9 months ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Oct 23, 2018Updated 7 years ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- ☆53Apr 19, 2024Updated last year
- ☆10Mar 5, 2025Updated last year
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated 9 months ago
- Explicit crosslinks in AlphaFold 3☆23Mar 17, 2025Updated last year
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 3 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.
- ☆12Sep 19, 2022Updated 3 years ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated 8 months ago
- OMNI-P2x: A universal neural network potential for excited states☆12Mar 19, 2026Updated last week
- Extract structure-functions from data using XAI and LLMs☆27Jan 20, 2025Updated last year
- python code for Multi-Coordinate Driving (MCD) method☆15Jul 16, 2024Updated last year
- Obtain and organize all feasible fragmentation of molecular methods☆35Aug 4, 2023Updated 2 years ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- Cloud-based Drug Binding Structure Prediction☆46Feb 9, 2026Updated last month
- ☆49Oct 8, 2020Updated 5 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆30Oct 22, 2025Updated 5 months ago
- Modelling protein conformational landscape with Alphafold☆56Aug 29, 2025Updated 7 months ago
- A collection of AWESOME things about LLM-Centric-Molecular-Discovery.☆24May 20, 2025Updated 10 months ago
- p-IgGen: A Generative Paired Antibody Language Model☆13May 6, 2025Updated 10 months ago
- Foster the development of impactful AI models in drug discovery.☆140Aug 22, 2025Updated 7 months ago
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆20Sep 28, 2024Updated last year
- Biological Relationships - Biorels data preparation infrastructure for biology and drug discovery☆15May 19, 2025Updated 10 months ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Jan 28, 2022Updated 4 years ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆34Dec 10, 2023Updated 2 years ago
- ☆45Nov 20, 2025Updated 4 months ago
- Pocket dynamics analysis tool☆18May 8, 2025Updated 10 months ago
- Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data☆12Sep 19, 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
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆27Oct 15, 2021Updated 4 years ago
- ☆24Nov 24, 2024Updated last year