Official implementation of paper: MolAE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective (icml 2024)
☆12Jul 4, 2024Updated last year
Alternatives and similar repositories for MolAE
Users that are interested in MolAE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An Image-enhanced Molecular Graph Representation Learning Framework (IJCAI 2024)☆17Dec 24, 2024Updated last year
- ☆28Nov 17, 2025Updated 5 months ago
- ☆78Feb 11, 2025Updated last year
- [KDD'23] Source codes of "Semi-Supervised Graph Imbalanced Regression"☆22Jun 21, 2025Updated 10 months ago
- ☆17Jul 6, 2020Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Code for ICLR'24 Paper "Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks"☆10Mar 12, 2024Updated 2 years ago
- KM算法的python实现☆46Nov 5, 2018Updated 7 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- Scorpius: Poisoning scientific knowledge using large language models☆11Aug 3, 2024Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆122Sep 17, 2024Updated last year
- 📊 Create visualizations from numbers in documents.☆13Dec 19, 2023Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- Official implementation for the paper "EBMDOCK: NEURAL PROBABILISTIC PROTEIN-PROTEIN DOCKING VIA A DIFFERENTIABLE ENERGY-BASED MODEL" (IC…☆14Apr 24, 2024Updated 2 years ago
- Official repository of "Multi-level Interaction Modeling for Protein Mutational Effect Prediction"☆11Jun 30, 2024Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆16May 19, 2025Updated 11 months ago
- MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION☆20Sep 23, 2025Updated 7 months ago
- Triplet Graph Transformer☆51Sep 17, 2025Updated 7 months ago
- ImageNet2012 download & arrangement☆17Sep 20, 2022Updated 3 years ago
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- A Quasi-Wasserstein Loss for Learning Graph Neural Networks (QW loss)☆10May 20, 2024Updated last year
- The code for NeurIPS 2023 paper DSR☆14Oct 8, 2023Updated 2 years ago
- Official code for the SDM2022 paper -- SSSNET: Semi-Supervised Signed Network Clustering.☆25Oct 13, 2024Updated last year
- ☆38Jul 5, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Learnable Global Pooling Layers Based on Regularized Optimal Transport (ROT)☆16Mar 17, 2024Updated 2 years ago
- Training Neural Networks Without Gradients: A Scalable ADMM Approach python implement☆14Jun 20, 2017Updated 8 years ago
- Deep Active learning with Neural-surrogate-guided Tree Exploration☆45Aug 28, 2025Updated 8 months ago
- This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu…☆61Jan 7, 2025Updated last year
- ☆23Dec 21, 2022Updated 3 years ago
- [NeurIPS 2024] Official code for the paper 'RankUp: Boosting Semi-Supervised Regression with an Auxiliary Ranking Classifier'☆14Aug 22, 2025Updated 8 months ago
- Code for OGB competition☆12Feb 24, 2024Updated 2 years ago
- ☆11Sep 20, 2021Updated 4 years ago
- The code for paper Interpreting Key Mechanisms of Factual Recall in Transformer-Based Language Models.☆13Apr 10, 2024Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."☆11May 28, 2025Updated 11 months ago
- [Neurips 2025] Official Implementation of ConfRover models☆24Feb 3, 2026Updated 3 months ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆129Jun 9, 2023Updated 2 years ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated 8 months ago
- Gene expression time-series extrapolation for heterogeneous data☆20Apr 29, 2023Updated 3 years ago
- ☆17Nov 15, 2021Updated 4 years ago
- the source code of IJCAI 2023 paper "Multi-Scale subgraph contrastive learning"☆11Apr 25, 2023Updated 3 years ago