Repository for molar crate and its dependencies
☆54Jun 16, 2026Updated this week
Alternatives and similar repositories for molar
Users that are interested in molar are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated 11 months ago
- Repository for the 2024 OpenFE industry benchmark efforts☆40Oct 3, 2025Updated 8 months ago
- ☆18Apr 13, 2026Updated 2 months ago
- ☆50Updated this week
- ☆23May 8, 2026Updated last month
- 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.
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- Repository for the code associated with the paper Impact of applicability domains by Maxime Langevin et al.☆13Feb 19, 2025Updated last year
- pdbx is a parser module in python for structures of the protein data bank in the mmcif format☆31Aug 9, 2024Updated last year
- Best practice document for alchemical free energy calculations going to livecoms journal☆89May 28, 2026Updated 3 weeks ago
- A Rust implementation of the LightDock macromolecular docking software☆30Apr 19, 2024Updated 2 years ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆62Apr 6, 2026Updated 2 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆28Nov 28, 2024Updated last year
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 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.
- A Rust library for calculating the SASA for a protein. 5x faster than Freesasa. Based on the Shrake & Rupley algorithm.☆20Jun 12, 2026Updated last week
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆35Apr 10, 2026Updated 2 months ago
- ☆10Jun 4, 2026Updated 2 weeks ago
- ☆10Oct 27, 2024Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- Schrödinger Sketcher☆36Updated this week
- Quantum-mechanical molecular representations☆30Jan 27, 2026Updated 4 months ago
- Flexibility-conditioned protein structure design☆36Mar 10, 2026Updated 3 months ago
- Cheminformatics tools that work natively with Google tools such as Sheets and BigQuery