Fine-tuning Suiren molecular foundation models for molecular property prediction.
☆12Jul 20, 2026Updated 3 months ago
Alternatives and similar repositories for Suiren-Property-Prediction
Users that are interested in Suiren-Property-Prediction are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A molecular foundation model for quantum property prediction.☆18Jun 24, 2026Updated 4 months ago
- ☆28Jun 29, 2025Updated last year
- An AI-powered multi-agent toolkit for scientific research.☆31May 8, 2026Updated 6 months ago
- RLPF algorithm☆11Aug 6, 2025Updated last year
- ☆61Nov 29, 2025Updated 11 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- AdaptiveFlow for Ligand Preparation (AFLP)☆10May 27, 2026Updated 5 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆40Sep 8, 2026Updated 2 months ago
- CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability☆11Jul 14, 2024Updated 2 years ago
- ☆15May 29, 2024Updated 2 years ago
- Official Implementation of RXNEmb☆10Mar 20, 2026Updated 7 months ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- a multi-property optimization method.☆34Dec 10, 2024Updated last year
- Codes to generate a bandgap database using ChemDataExtractor.☆10Jun 4, 2025Updated last year
- How Post-Training Shapes Biological Reasoning Models☆17Jun 16, 2026Updated 4 months ago
- AI Agents on 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.
- ☆13Sep 17, 2025Updated last year
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 9 years ago
- Quantum-Wise VNL Application for Perovskite Building and Machine Learning☆12May 14, 2020Updated 6 years ago
- DTMOL: a diffusion transformer model for target-based molecular docking☆10Jun 8, 2026Updated 5 months ago
- Irreducible Cartesian Natural Tensor Networks -- CarNet☆12Jul 13, 2026Updated 3 months ago
- This is a repository for paper "Enantioselectivity prediction of pallada-electrocatalysed C–H activation using transition state knowledge…☆11Feb 8, 2024Updated 2 years ago
- ☆14Jul 24, 2023Updated 3 years ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 11 months ago
- pymol scripts☆14Jan 27, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- TFN layers built using Tensorflow 2☆15Jul 15, 2021Updated 5 years ago
- J. Comp. Chem. 2020, 41, 790-799☆12Nov 21, 2019Updated 6 years ago
- ☆26Mar 2, 2026Updated 8 months ago
- The Nutmeg machine learning models☆11Jan 23, 2025Updated last year
- ☆13Oct 21, 2026Updated 2 weeks ago
- Predicting new perovskites with ensemble Machine Learning algorithms☆16Nov 8, 2025Updated last year
- ☆14Dec 29, 2022Updated 3 years ago
- Training terminal agents to recover from failed executions☆24Oct 14, 2026Updated 3 weeks ago
- Monitor U.S. visa appointment availability with email alerts and guarded auto-booking.☆21Apr 16, 2026Updated 6 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆14Jun 27, 2025Updated last year
- AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…☆16Jan 12, 2021Updated 5 years ago
- Hands-on tutorials for building equivariant neural network potentials in chemistry☆16Oct 28, 2026Updated last week
- ☆18Jul 30, 2024Updated 2 years ago
- VCR-Graphormer: A Mini-batch Graph Transformer via Virtual Connections, ICLR 2024☆14May 9, 2024Updated 2 years ago
- RetroPath2.0 to pathways☆18Jan 28, 2026Updated 9 months ago
- ☆16Dec 25, 2025Updated 10 months ago