A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)
☆12Sep 6, 2024Updated last year
Alternatives and similar repositories for CGIP
Users that are interested in CGIP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- EDBench: Large-Scale Electron Density Data for Molecular Modeling (NeurIPS 2025)☆22May 12, 2026Updated last month
- A collection of useful tutorials for Protein Science☆18Jun 29, 2015Updated 10 years ago
- An Image-enhanced Molecular Graph Representation Learning Framework (IJCAI 2024)☆17Dec 24, 2024Updated last year
- ☆20Aug 5, 2025Updated 10 months ago
- PyChem-Pro: a molecular viewer, cheminformatics library, molecular descriptor calculator, molecular editor, chemical drawing editor, and …☆180Jun 5, 2026Updated last week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆15Jun 9, 2023Updated 3 years ago
- A curated list of awesome AI and Bioinformatics.☆55Mar 5, 2023Updated 3 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆35Mar 24, 2025Updated last year
- ☆44Apr 10, 2025Updated last year
- ☆64May 13, 2026Updated 3 weeks ago
- ☆14Jul 24, 2023Updated 2 years ago
- Interacting with Jarvislabs.ai for creating GPU/CPU powered instances on top of A100, A6000, RTX 5000.☆16Mar 18, 2026Updated 2 months ago
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆24Dec 20, 2024Updated last year
- Generate intrinsically disordered peptide conformations via machine learning☆25May 26, 2024Updated 2 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- ☆19Aug 8, 2024Updated last year
- ☆29Jul 13, 2023Updated 2 years ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆46Jul 4, 2025Updated 11 months ago
- 基于 yolomark的半自动化标注工具☆13May 5, 2019Updated 7 years ago
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Jan 28, 2024Updated 2 years ago
- Graph Network for protein-protein interface including language model features☆34Mar 26, 2024Updated 2 years ago
- Benchmarking deep learning models generating molecules in 3D☆18Apr 12, 2025Updated last year
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38May 16, 2025Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆41Jun 6, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Rapid and accurate ancestry inference using SNVs.☆28Aug 15, 2025Updated 9 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆15Dec 2, 2023Updated 2 years ago
- Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs☆20Nov 6, 2024Updated last year
- VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectros…☆53Jun 5, 2026Updated last week
- Access to data for workshops and extended tests of MDAnalysis.☆19Apr 3, 2026Updated 2 months ago
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- ☆29Dec 13, 2023Updated 2 years ago
- ☆28Apr 14, 2024Updated 2 years ago
- ☆13May 18, 2025Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆29Oct 7, 2024Updated last year
- ☆14Jul 11, 2025Updated 11 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆28Oct 15, 2021Updated 4 years ago
- The official source code for [2023 NeurIPS] " Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transfo…☆30Oct 15, 2024Updated last year
- Official Pytorch implementation of Chromatic Graph Transformers☆10Jun 14, 2023Updated 2 years ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆10Nov 20, 2025Updated 6 months ago
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆41Mar 16, 2024Updated 2 years ago