☆15Jul 13, 2025Updated last year
Alternatives and similar repositories for OmniMol
Users that are interested in OmniMol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆11Jun 2, 2021Updated 5 years ago
- Open-Protein is an open source pre-training platform that supports multiple protein pre-training models and downstream tasks.☆19Apr 14, 2023Updated 3 years ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Apr 25, 2021Updated 5 years ago
- This is the code associated to the paper about the MultiModalSpectralTransformer, capable of predicting molecules from spectral data (1H,…☆16Oct 7, 2025Updated 10 months ago
- TFN layers built using Tensorflow 2☆15Jul 15, 2021Updated 5 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.
- [ICLR 2024] Official Implementation of Long-Short-Range Message-Passing☆19Sep 7, 2025Updated 11 months ago
- Solv@TUM - The Solvation Free Energy Database☆15Mar 31, 2024Updated 2 years ago
- Transformer for End to End Molecule Property Prediction☆11Jun 1, 2022Updated 4 years ago
- ☆27Jun 29, 2025Updated last year
- BayeshERG Official Repository☆16May 30, 2025Updated last year
- Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"☆30Jan 16, 2024Updated 2 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 2 years ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR and IR.☆33Jul 5, 2026Updated last month
- [AAAI 2024] Official repository for "Rethinking Dimensional Rationale in Graph Contrastive Learning from Causal Perspective"☆14Dec 8, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A Python package for learning representations of battery discharge voltage profiles across diverse compositions in disordered rocksalt ca…☆16Jul 12, 2024Updated 2 years ago
- [Nature Communications] A foundation model for drug synergy analysis☆15Nov 17, 2025Updated 8 months ago
- The Nutmeg machine learning models☆11Jan 23, 2025Updated last year
- ☆15May 1, 2025Updated last year
- A deep learning framework for deubiquitnase-substrate interaction identification☆13Jul 31, 2025Updated last year
- ☆43Jul 8, 2023Updated 3 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆39Jul 15, 2026Updated 3 weeks ago
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆14Sep 27, 2024Updated last year
- ☆27Dec 28, 2025Updated 7 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆17Feb 20, 2025Updated last year
- Accurate prediction of drug–target interactions in drug discovery.☆11Dec 9, 2025Updated 8 months ago
- ☆11Jan 7, 2019Updated 7 years ago
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated last year
- DeePhys was created to facilitate the analysis of extracellular recordings of neuronal cultures using high-density microelectrode arrays …☆14May 6, 2026Updated 3 months ago
- Grid Generation☆11Mar 7, 2024Updated 2 years ago
- GraSeq: Graph and Sequence Fusion Learning for Molecular Property Prediction. In CIKM 2020.☆15Feb 10, 2021Updated 5 years ago
- Tutorial of Writing R Packages a Modern Workflow for beginners☆14Feb 17, 2021Updated 5 years ago
- A Graph Neural Network for molecular property prediction with four levels of Interpretability.☆40Apr 11, 2026Updated 3 months 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.
- Temporal Walk Based Centrality Metric for Graph Streams☆15Mar 20, 2023Updated 3 years ago
- This directory contains the MATLAB code for the paper Reconstructing higher-order interactions in coupled dynamical systems by Federico M…☆11May 2, 2024Updated 2 years ago
- ☆32Jul 5, 2021Updated 5 years ago
- ☆27Dec 8, 2022Updated 3 years ago
- Estimating high-order interactions in time series data of any dimension☆18Sep 5, 2025Updated 11 months ago
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆20Jan 2, 2026Updated 7 months ago
- Demo of using RapidMiner in machine learning☆17Apr 13, 2020Updated 6 years ago