☆19Jun 14, 2025Updated last year
Alternatives and similar repositories for InstructMol
Users that are interested in InstructMol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Feb 17, 2025Updated last year
- ☆11May 22, 2024Updated 2 years ago
- ☆10Jun 14, 2025Updated last year
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 3 years ago
- ☆11Sep 27, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- The official implementation of the AAAI'24 paper Cross-Gate MLP with Protein Complex Invariant Embedding is A One-Shot Antibody Designer.☆12Dec 28, 2023Updated 2 years ago
- ☆13Jul 5, 2024Updated 2 years ago
- ☆19Feb 5, 2024Updated 2 years ago
- [ICML 2024] VQDNA: Unleashing the Power of Vector Quantization for Multi-Species Genomic Sequence Modeling☆10Sep 22, 2024Updated last year
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- ☆12Jun 14, 2025Updated last year
- AI for Chemical Spectra☆18Updated this week
- ICLR 2025: We propose Atomas, a hierarchical molecular representation learning framework that jointly learns representations from SMILES …☆19Feb 24, 2025Updated last year
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- 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.
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated 11 months ago
- ☆10Nov 17, 2020Updated 5 years ago
- Official implementation for the paper "EBMDOCK: NEURAL PROBABILISTIC PROTEIN-PROTEIN DOCKING VIA A DIFFERENTIABLE ENERGY-BASED MODEL" (IC…☆14Apr 24, 2024Updated 2 years ago
- Codes for our ACM MM 2019 paper: "Exploiting Temporal Relationships in Video Moment Localization with Natural Language"☆16Oct 22, 2022Updated 3 years ago
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆42Oct 8, 2024Updated last year
- ☆12Dec 10, 2020Updated 5 years ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Oct 23, 2018Updated 7 years ago
- The official implementation of the ECCV'24 paper MC-CoT: Boosting the Power of Small Multimodal Reasoning Models to Match Larger Models w…☆26May 19, 2024Updated 2 years ago
- Python implementation of Dynamical Network Analysis☆16Aug 6, 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.
- Official implementation of From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning?☆15Jun 19, 2026Updated last month
- ☆42Mar 26, 2025Updated last year
- This repo focuses on supervised and self-supervised bio-sequence representation learning☆22Oct 11, 2023Updated 2 years ago
- 📐 [CVPR 2026] GGBench: A Geometric Generative Reasoning Benchmark for Unified Multimodal Models☆18Apr 1, 2026Updated 4 months ago
- Scalable Deep Learning for RNA Secondary Structure Prediction☆43Sep 23, 2025Updated 10 months ago
- ☆15Aug 8, 2025Updated last year
- Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding☆19Jul 7, 2026Updated last month
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- Mol-Opt: a toolbox for molecular design☆23Apr 15, 2024Updated 2 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.
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 4 months ago
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆20Jan 2, 2026Updated 7 months ago
- VQ-GAN for Various Data Modality based on Taming Transformers for High-Resolution Image Synthesis☆29Apr 15, 2023Updated 3 years ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- [ICML 2023] Architecture-Agnostic Masked Image Modeling -- From ViT back to CNN☆32Aug 15, 2024Updated last year
- ☆21May 28, 2025Updated last year
- ☆39Jun 10, 2023Updated 3 years ago