[NeurIPS 2023] Implementation of "Improving Self-supervised Molecular Representation Learning using Persistent Homology"
☆16Nov 16, 2023Updated 2 years ago
Alternatives and similar repositories for Molecular-homology
Users that are interested in Molecular-homology are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICLR 2025] Implementation of "Node Identifiers: Compact, Discrete Representations for Efficient Graph Learning"☆17Jun 6, 2025Updated last year
- ☆33Updated this week
- ☆18Nov 22, 2022Updated 3 years ago
- ☆16Mar 16, 2023Updated 3 years ago
- [NeurIPS 2024] Implementation of "Classic GNNs are Strong Baselines: Reassessing GNNs for Node Classification"☆187Jun 5, 2025Updated last year
- 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.
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆23Oct 16, 2023Updated 2 years ago
- ☆10Mar 25, 2023Updated 3 years ago
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆18May 19, 2025Updated last year
- ☆14Sep 22, 2022Updated 3 years ago
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆25Oct 12, 2022Updated 3 years ago
- ☆14Nov 21, 2023Updated 2 years ago
- UnityModManager changed files for Pathfinder Wrath of the Righteous for MacOS☆14Jul 15, 2023Updated 3 years ago
- MQTT Air quality (PM10, PM2.5) monitoring station☆11Nov 17, 2020Updated 5 years ago
- RuDaS: Synthetic Datasets for Rule Learning☆20Jun 21, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.☆18Jan 3, 2025Updated last year
- Here is the code for the paper ``Aspect-Level Sentiment Analysis via Convolution over Dependency Tree'' accepted by EMNLP2019.☆14Sep 16, 2020Updated 5 years ago
- some papers about TDA☆14May 18, 2022Updated 4 years ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆22Mar 26, 2024Updated 2 years ago
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Feb 16, 2023Updated 3 years ago
- Synthetic Data Generation for Foundation Models☆21Nov 10, 2025Updated 9 months ago
- An Image-enhanced Molecular Graph Representation Learning Framework (IJCAI 2024)☆17Dec 24, 2024Updated last year
- Tools to train synthesis prediction models☆31Feb 11, 2026Updated 6 months ago
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆62Jun 29, 2023Updated 3 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.
- Energy-based modeling of chemical reactions☆34Dec 15, 2022Updated 3 years ago
- TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.☆11Nov 10, 2021Updated 4 years ago
- Implementation of the nearest neighbour CLR paper☆27Mar 17, 2022Updated 4 years ago
- ☆11May 6, 2024Updated 2 years ago
- Official source code for Time is Not Enough: Time-Frequency based Explanation for Time-Series Black-Box Models☆14Dec 5, 2024Updated last year
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 9 months ago
- ☆39Oct 11, 2023Updated 2 years ago
- ☆12Feb 28, 2024Updated 2 years ago
- ☆12Mar 28, 2023Updated 3 years ago
- 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.
- Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…☆27Aug 18, 2025Updated last year
- Equivariant layers for RC-complement symmetry in DNA sequence data☆13Feb 24, 2022Updated 4 years ago
- Efficient Learning of Message Passing Neural Networks for Molecular Property Production☆18Feb 23, 2020Updated 6 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆136Jun 9, 2023Updated 3 years ago
- Extract Molecular SMILES embeddings from language models pre-trained with various objectives architectures.☆19Nov 9, 2023Updated 2 years ago
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated last year
- [NeurIPS '24] Code repo for the paper entitled "Learning Structured Representations with Hyperbolic Embeddings" at NeurIPS 2024☆24Jan 22, 2025Updated last year